data_2lw4_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 2lw4 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 1.377 0 N-CA-C 113.816 1.043 . . . . 74.45 113.816 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -81.57 -60.89 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 118.408 0.549 . . . . 42.43 110.332 168.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -66.99 -44.02 81.47 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.097 0.559 . . . . 74.13 112.233 -172.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -65.76 -33.69 76.45 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.84 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 84.7 tttt -68.38 -43.36 77.5 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.354 0.662 . . . . 75.23 111.168 176.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.4 m -62.18 -44.54 96.36 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.143 0.577 . . . . 72.21 111.343 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.96 -46.44 89.26 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.494 1.117 . . . . 75.15 111.146 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 15' ' ' LYS . 7.6 pt-20 -72.01 -30.59 65.37 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 112.257 0.466 . . . . 72.42 112.257 -177.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.422 ' HB3' HD12 ' A' ' 67' ' ' ILE . 67.8 mtm -71.46 -33.2 69.12 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.697 0.399 . . . . 75.53 111.473 175.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.57 -36.05 80.18 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 122.583 0.353 . . . . 72.15 110.716 170.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -63.76 -42.97 97.71 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.212 0.605 . . . . 72.42 110.607 172.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.53 -30.78 70.52 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.362 1.065 . . . . 74.32 111.647 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.4 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -63.93 -31.52 72.73 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.666 0.786 . . . . 72.52 111.788 171.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -86.34 -26.88 24.63 Favored 'General case' 0 CA--C 1.56 1.354 0 CA-C-N 115.319 -0.855 . . . . 72.14 112.171 174.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -89.96 -19.2 24.78 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 113.117 0.784 . . . . 74.32 113.117 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.445 HG21 ' HE2' ' A' ' 71' ' ' LYS . 12.9 t -59.93 -19.72 53.41 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.333 0.653 . . . . 72.41 112.089 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -137.43 150.67 47.8 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.682 1.193 . . . . 70.2 108.656 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -85.55 27.07 0.86 Allowed 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.321 0.648 . . . . 75.34 112.053 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -57.48 -46.21 83.98 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.762 1.225 . . . . 71.53 111.677 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -63.53 -25.58 68.32 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 115.27 -0.877 . . . . 70.15 112.083 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -73.39 -42.17 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.369 0.668 . . . . 73.15 110.614 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.57 97.64 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.441 0.696 . . . . 62.23 111.675 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.636 HD11 ' HD3' ' A' ' 80' ' ' ARG . 62.0 mt -76.45 -23.09 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 C-N-CA 123.605 0.762 . . . . 74.5 111.281 174.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.42 26.29 61.68 Favored Glycine 0 CA--C 1.536 1.404 0 CA-C-N 116.492 -0.322 . . . . 70.32 113.796 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.552 ' HB2' HD11 ' A' ' 40' ' ' LEU . . . -102.47 130.56 49.3 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.153 0.981 . . . . 75.33 111.08 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -79.02 111.81 15.6 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 121.132 0.492 . . . . 73.11 111.071 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.7 p -69.52 -30.6 68.48 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 114.23 1.196 . . . . 72.42 114.23 -168.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -31.11 71.67 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 113.558 0.947 . . . . 65.11 113.558 -173.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -82.45 -38.41 24.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.063 0.545 . . . . 65.2 110.984 174.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 35' ' ' ALA . 93.4 mt -60.43 -43.2 97.01 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.708 0.803 . . . . 63.14 111.814 -176.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.4 p -57.39 -46.66 83.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.0 0.92 . . . . 72.42 111.382 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.36 -31.71 71.3 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.367 1.067 . . . . 65.31 112.72 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -67.92 -45.12 75.25 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.256 0.622 . . . . 73.54 111.152 175.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.2 -37.39 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.006 0.522 . . . . 70.4 110.322 173.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.39 -47.08 85.72 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 124.341 1.056 . . . . 75.42 110.763 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.77 -34.63 77.18 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 118.194 0.452 . . . . 73.14 111.711 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.4 m -65.48 -41.5 93.25 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.396 0.678 . . . . 74.44 111.999 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.0 tt -83.49 -25.39 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.445 0 C-N-CA 122.677 0.391 . . . . 74.43 111.155 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -61.2 -27.16 68.22 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 124.713 1.205 . . . . 72.52 112.376 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -60.0 -43.6 95.1 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.149 0.58 . . . . 72.44 111.38 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -90.8 -55.76 3.44 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.757 0.789 . . . . 73.45 111.626 173.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.561 HG13 ' HD1' ' A' ' 59' ' ' TYR . 76.8 t -81.99 -19.47 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 N-CA-C 113.81 1.041 . . . . 73.13 113.81 -167.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.67 -11.42 10.49 Favored Glycine 0 N--CA 1.48 1.632 0 N-CA-C 116.778 1.471 . . . . 72.54 116.778 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.417 HD22 ' HD2' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -66.08 110.77 3.08 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 121.353 0.596 . . . . 62.41 110.332 169.185 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.7 p -79.33 14.2 1.63 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 114.163 1.172 . . . . 51.43 114.163 -166.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.95 -50.2 37.13 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.035 0.934 . . . . 70.14 112.631 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.5 -67.03 0.33 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.498 0.319 . . . . 73.5 111.594 -177.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.417 ' HD2' HD22 ' A' ' 54' ' ' ASN . 18.0 ptpt -60.72 -34.13 73.95 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.322 0.86 . . . . 73.54 113.322 -170.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.561 ' HD1' HG13 ' A' ' 52' ' ' VAL . 23.4 t80 -62.0 -31.71 72.11 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 118.421 0.555 . . . . 71.32 112.202 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -71.94 -48.98 41.41 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 122.92 0.488 . . . . 74.43 111.558 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -76.42 -45.0 33.46 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.438 0.695 . . . . 73.22 112.655 -173.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -57.13 -40.57 77.41 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.027 0.931 . . . . 75.03 112.786 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 67' ' ' ILE . 77.2 t -62.97 -45.0 99.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 123.65 0.594 . . . . 75.12 110.878 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -58.78 -47.54 84.34 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.246 0.546 . . . . 72.21 111.191 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.7 t -63.93 -35.4 80.54 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.154 0.981 . . . . 64.33 112.172 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -68.46 -45.72 71.69 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.01 0.924 . . . . 64.24 110.837 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.422 HD12 ' HB3' ' A' ' 19' ' ' MET . 93.7 mt -53.14 -44.98 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 124.586 1.154 . . . . 72.34 110.941 175.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.6 t -57.15 -49.1 76.98 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.289 -0.869 . . . . 74.34 111.817 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -65.74 -29.83 70.41 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.839 0.856 . . . . 73.33 112.755 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.9 mt -76.26 -19.16 58.58 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.872 0.693 . . . . 73.41 112.872 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.445 ' HE2' HG21 ' A' ' 26' ' ' THR . 19.3 ptpt -121.37 8.28 10.21 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.3 0.64 . . . . 75.44 112.569 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.81 141.14 51.36 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 113.136 0.791 . . . . 74.31 113.136 -169.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.13 -22.34 24.15 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.651 0.78 . . . . 70.41 112.923 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.81 -23.12 39.44 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.95 0.5 . . . . 75.22 110.818 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.467 ' ND2' ' HB2' ' A' ' 78' ' ' LEU . 64.3 t30 -138.35 75.86 38.56 Favored Pre-proline 0 CA--C 1.562 1.424 0 C-N-CA 122.754 0.421 . . . . 73.44 110.625 169.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -80.31 -15.86 11.15 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.862 2.375 . . . . 62.11 113.627 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.66 -17.35 57.8 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 122.852 0.461 . . . . 73.22 111.93 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.467 ' HB2' ' ND2' ' A' ' 75' ' ' ASN . 42.1 tp -55.69 -51.34 67.6 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.792 0.437 . . . . 74.04 111.798 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -60.67 -38.04 83.6 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 115.877 -0.601 . . . . 73.12 111.544 174.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.636 ' HD3' HD11 ' A' ' 33' ' ' ILE . 9.9 mmt85 -56.07 -46.85 78.84 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.662 0.785 . . . . 62.11 111.839 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -62.47 -39.81 94.61 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.329 0.652 . . . . 65.4 111.968 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.5 t -71.21 -49.51 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 C-N-CA 122.728 0.411 . . . . 75.25 111.543 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 70.6 mt -62.79 -39.11 93.22 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.469 1.108 . . . . 72.1 112.282 -177.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 p -83.49 -5.02 59.04 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.027 0.531 . . . . 72.12 112.392 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.61 16.83 78.66 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 114.73 0.652 . . . . 73.44 114.73 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.66 -46.94 74.06 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.327 0.651 . . . . 74.23 110.847 174.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 57.0 mt -108.9 119.71 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 108.353 -0.98 . . . . 75.33 108.353 169.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 74.9 p -73.41 149.81 89.03 Favored Pre-proline 0 N--CA 1.484 1.236 0 C-N-CA 122.923 0.489 . . . . 75.13 111.83 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -42.91 -38.82 7.24 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 124.407 3.404 . . . . 64.22 115.311 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.99 -47.35 83.49 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.629 0.771 . . . . 75.24 111.895 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -39.51 61.75 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.65 0.78 . . . . 72.21 112.357 -175.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 tp -72.06 -27.82 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 120.86 0.362 . . . . 72.21 111.332 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.32 -46.29 50.29 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.089 0.556 . . . . 72.54 111.606 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.9 m -77.02 -16.28 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 122.9 0.48 . . . . 74.31 112.067 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.509 ' SD ' ' HG2' ' A' ' 100' ' ' MET . 41.4 ttm -67.88 136.41 54.0 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.821 0.449 . . . . 64.22 110.016 171.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.1 p -75.0 155.01 37.8 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.567 0.347 . . . . 72.51 111.184 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.485 ' HA ' ' HE3' ' A' ' 100' ' ' MET . 80.2 p -57.32 -32.55 66.81 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.915 0.886 . . . . 75.44 112.575 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -59.43 -51.38 70.15 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.846 0.859 . . . . 75.53 111.416 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.58 -36.99 79.49 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.543 -0.753 . . . . 74.52 111.589 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.509 ' HG2' ' SD ' ' A' ' 95' ' ' MET . 41.5 mtm . . . . . 0 N--CA 1.484 1.267 0 C-N-CA 122.805 0.442 . . . . 73.41 110.851 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.256 0 N-CA-C 112.45 0.537 . . . . 73.44 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.2 t -53.53 -61.05 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 124.054 0.942 . . . . 72.23 111.792 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.409 HH21 ' HG3' ' A' ' 45' ' ' GLU . 53.1 ttt180 -72.56 -34.68 67.65 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.908 0.483 . . . . 75.13 111.314 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 22.5 t-20 -60.75 -48.53 81.37 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.096 0.558 . . . . 74.01 111.506 -177.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -57.78 -35.73 71.19 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.736 0.814 . . . . 72.13 111.748 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.4 m -59.87 -53.24 60.26 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.381 0.672 . . . . 75.42 110.993 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -55.34 -43.24 74.78 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.194 0.998 . . . . 71.44 111.954 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 13.3 mm-40 -60.82 -47.22 87.33 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.861 0.864 . . . . 74.31 112.429 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.4 mtm -70.53 -30.98 67.87 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.404 0.682 . . . . 74.5 111.976 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.73 -42.2 91.33 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.929 0.491 . . . . 74.42 111.081 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -66.4 -39.94 89.33 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.034 0.533 . . . . 74.31 110.949 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.8 78.43 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.984 0.914 . . . . 71.31 111.62 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HB3' HG22 ' A' ' 67' ' ' ILE . . . -65.6 -39.06 91.14 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.531 0.732 . . . . 73.51 111.238 173.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.6 mt -74.26 -15.82 60.97 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.386 0.675 . . . . 74.11 112.329 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -115.98 14.41 16.11 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.043 0.937 . . . . 75.32 112.569 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 t -62.89 -40.85 98.81 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.593 0.59 . . . . 51.53 112.593 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -109.94 8.39 24.21 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.351 0.66 . . . . 73.45 110.753 169.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.4 m80 59.05 36.69 24.38 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.178 1.391 . . . . 74.43 111.487 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.91 -32.76 69.84 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.0 1.32 . . . . 70.41 113.105 -171.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -63.31 -23.96 67.65 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.322 0.649 . . . . 74.1 112.235 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.31 -51.81 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.678 0.791 . . . . 74.32 111.29 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.96 -33.91 69.37 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.657 0.783 . . . . 74.03 112.387 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.499 HG23 ' HA ' ' A' ' 84' ' ' CYS . 59.5 mt -84.09 -32.56 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 C-N-CA 123.415 0.686 . . . . 74.41 111.283 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.52 28.63 29.3 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 114.238 0.455 . . . . 41.53 114.238 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.69 147.07 37.56 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.806 0.842 . . . . 63.41 110.898 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -83.2 114.88 21.66 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.638 0.375 . . . . 73.53 110.48 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.0 p -73.43 -26.44 60.95 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.781 0.832 . . . . 75.24 112.893 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.94 -40.88 78.71 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.864 0.866 . . . . 74.54 112.132 -171.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -66.53 -34.25 77.48 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 115.683 -0.689 . . . . 73.0 111.246 174.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.78 -43.44 68.72 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.373 0.669 . . . . 65.44 111.336 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.3 p -65.81 -30.44 71.07 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.064 0.946 . . . . 73.32 111.87 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.58 -35.32 77.21 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.411 0.685 . . . . 74.24 111.582 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -74.69 -32.41 62.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.112 0.565 . . . . 70.45 111.624 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.95 -43.73 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 109.535 -0.542 . . . . 73.43 109.535 170.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HG3' HH21 ' A' ' 13' ' ' ARG . 11.2 tp10 -57.87 -50.37 73.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.628 1.171 . . . . 72.34 111.788 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.96 -40.13 96.75 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 111.967 0.358 . . . . 75.11 111.967 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.7 m -65.9 -42.73 89.83 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.233 0.613 . . . . 73.03 112.482 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.2 tt -73.78 -32.44 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.418 0 C-N-CA 122.425 0.29 . . . . 71.2 110.825 175.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.65 -25.93 68.17 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.131 0.972 . . . . 74.4 113.133 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -56.59 -66.12 0.49 Allowed 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.048 0.539 . . . . 73.33 111.676 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -90.41 -44.17 9.81 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.637 0.775 . . . . 54.22 112.182 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.2 t -92.24 -12.81 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 123.691 0.796 . . . . 70.01 112.232 -168.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.7 30.34 1.05 Allowed Glycine 0 CA--C 1.549 2.182 0 N-CA-C 116.24 1.256 . . . . 64.52 116.24 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -77.53 -5.98 52.0 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.701 1.2 . . . . 74.5 111.989 169.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.4 p 64.98 24.49 12.65 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 126.313 1.845 . . . . 74.51 113.491 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.22 168.49 18.14 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 123.83 0.852 . . . . 74.43 110.309 170.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.1 ptm -55.39 -26.02 38.98 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.595 0.758 . . . . 75.52 112.581 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -55.63 -50.68 69.53 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.315 0.646 . . . . 73.52 110.98 171.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -65.62 -46.09 80.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.209 1.004 . . . . 74.23 112.025 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -60.9 -51.36 69.59 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.449 0.7 . . . . 74.31 111.763 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -73.26 -27.35 61.52 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.556 -0.747 . . . . 74.31 111.879 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 1.3 tpm_? -68.26 -44.71 75.01 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 117.686 0.221 . . . . 71.42 110.43 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.4 -48.74 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.359 0.664 . . . . 75.2 110.417 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.502 ' HA ' HD11 ' A' ' 67' ' ' ILE . 47.8 mtm-85 -62.61 -34.19 76.52 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.059 0.544 . . . . 74.43 112.072 177.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.7 t -65.87 -42.51 90.25 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.268 0.627 . . . . 71.32 110.94 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.585 ' NH1' ' SD ' ' A' ' 100' ' ' MET . 33.6 mmt180 -54.89 -55.36 31.39 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.074 0.55 . . . . 61.23 109.625 175.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 64' ' ' ARG . 57.4 mt -52.45 -45.97 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 C-N-CA 124.593 1.157 . . . . 73.25 111.723 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 t -61.68 -42.51 99.02 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.947 0.899 . . . . 70.14 111.9 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -72.61 -34.33 67.3 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.279 0.632 . . . . 63.53 111.607 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 66' ' ' ARG . 96.0 mt -64.01 -41.08 97.59 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.599 0.76 . . . . 72.02 111.167 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -101.77 13.93 33.44 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.522 0.729 . . . . 74.23 112.34 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.0 145.2 56.66 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.267 0.627 . . . . 73.54 112.321 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.11 79.58 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.471 0.708 . . . . 74.32 112.379 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.508 ' HB2' ' HZ2' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -93.39 -11.51 32.09 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.369 0.668 . . . . 75.43 111.466 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -139.79 60.82 16.66 Favored Pre-proline 0 CA--C 1.576 1.974 0 C-N-CA 124.221 1.008 . . . . 74.34 111.114 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -75.95 -33.06 3.93 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 122.448 2.099 . . . . 71.54 113.421 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -73.02 -14.64 61.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.424 1.09 . . . . 72.23 112.735 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 100' ' ' MET . 53.7 tp -52.51 -46.65 66.74 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.966 0.906 . . . . 74.25 112.732 -174.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -67.66 -37.58 82.58 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.35 0.66 . . . . 73.22 111.743 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -71.88 -27.69 63.02 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.602 1.161 . . . . 62.11 111.243 -172.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.75 -34.78 77.51 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.844 0.857 . . . . 73.12 110.831 174.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.3 t -67.41 -43.25 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 CA-C-O 121.433 0.635 . . . . 73.54 110.024 172.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.13 -24.84 64.15 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.27 1.028 . . . . 75.11 112.255 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.499 ' HA ' HG23 ' A' ' 33' ' ' ILE . 38.9 t -85.03 -10.0 57.42 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.865 0.866 . . . . 70.22 111.797 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.12 18.85 62.04 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.522 -0.308 . . . . 74.24 113.789 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.3 -58.67 2.5 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.585 0.754 . . . . 65.13 110.778 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.5 mt -91.51 132.46 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.506 0.723 . . . . 64.02 109.636 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.7 p -82.87 150.94 63.17 Favored Pre-proline 0 N--CA 1.487 1.414 0 CA-C-N 117.569 0.168 . . . . 73.2 110.873 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -48.05 -36.59 28.41 Favored 'Trans proline' 0 C--N 1.379 2.158 0 C-N-CA 123.611 2.874 . . . . 74.04 115.345 174.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -70.7 -40.43 72.86 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 119.147 -0.454 . . . . 73.3 111.552 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -56.97 -53.2 60.75 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 122.917 0.487 . . . . 74.11 111.225 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.7 tp -67.5 -22.97 29.26 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.686 0 CA-C-N 115.954 -0.566 . . . . 74.41 111.69 -177.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.31 -32.59 26.26 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.879 0.871 . . . . 73.22 113.264 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.17 -34.96 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 112.367 0.506 . . . . 75.2 112.367 -175.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.3 mtm -66.87 145.09 55.84 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 122.553 0.341 . . . . 74.15 110.993 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.9 p -73.76 158.96 33.66 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.574 0.349 . . . . 63.52 110.373 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.2 t -57.64 -30.82 65.7 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.28 0.632 . . . . 72.33 111.682 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -64.57 -40.7 96.02 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.971 0.909 . . . . 72.23 111.771 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.11 -30.35 58.22 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.541 0.736 . . . . 74.41 111.931 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.585 ' SD ' ' NH1' ' A' ' 66' ' ' ARG . 82.5 mtp . . . . . 0 N--CA 1.483 1.215 0 C-N-CA 124.029 0.931 . . . . 74.44 111.286 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.285 0 N-CA-C 114.836 1.421 . . . . 53.35 114.836 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -62.32 -47.12 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 124.217 1.007 . . . . 74.44 111.657 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HE ' ' HB2' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -70.93 -29.49 65.54 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.218 -0.901 . . . . 72.34 112.157 -178.482 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.59 -38.27 90.43 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.718 0.407 . . . . 74.31 110.414 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -63.48 -44.17 95.17 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.644 0.59 . . . . 73.11 111.145 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.8 t -57.09 -49.99 74.18 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.748 0.419 . . . . 71.2 111.335 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -59.63 -50.56 73.41 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.977 0.911 . . . . 74.31 112.27 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.4 -33.25 74.79 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 112.439 0.533 . . . . 64.02 112.439 -175.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.427 ' HB3' HD13 ' A' ' 67' ' ' ILE . 51.3 mtm -75.25 -38.89 60.32 Favored 'General case' 0 CA--C 1.562 1.417 0 N-CA-C 112.663 0.616 . . . . 75.21 112.663 177.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.61 -37.55 87.77 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 123.074 0.55 . . . . 74.3 110.416 171.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.0 m -64.64 -42.02 95.73 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.002 0.921 . . . . 75.14 110.814 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.91 -30.84 71.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.928 0.891 . . . . 73.21 111.77 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB3' HG23 ' A' ' 67' ' ' ILE . . . -64.34 -41.45 96.77 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.068 0.547 . . . . 71.13 110.94 171.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -76.38 -8.85 57.99 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.469 0.708 . . . . 74.34 112.377 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -115.1 -7.46 12.47 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 124.18 0.992 . . . . 74.13 112.952 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 t -65.11 -29.32 70.17 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 112.778 0.659 . . . . 75.01 112.778 -169.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -108.85 -3.39 17.7 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.167 0.987 . . . . 64.15 110.543 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.4 m80 62.28 25.57 15.29 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 124.672 1.189 . . . . 74.43 110.291 -163.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -59.81 -39.08 83.82 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.889 1.676 . . . . 64.34 112.86 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -67.62 -32.32 72.96 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 112.012 0.375 . . . . 72.0 112.012 176.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -69.06 -43.22 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 C-N-CA 123.329 0.652 . . . . 73.4 110.68 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.75 -31.07 69.85 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.243 -0.89 . . . . 73.13 112.316 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.4 mt -85.68 -28.48 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.164 0.586 . . . . 73.32 111.803 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.32 56.13 3.08 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-O 120.921 0.178 . . . . 74.13 112.968 -175.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.61 136.32 50.52 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.138 0.975 . . . . 53.53 111.408 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.446 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 7.1 m-20 -74.58 92.3 2.39 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.375 0.67 . . . . 65.21 110.303 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.9 p -63.05 -52.06 64.29 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.095 1.146 . . . . 71.44 114.095 -166.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.38 -25.45 66.79 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 111.858 0.318 . . . . 65.34 111.858 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -74.24 -43.42 57.11 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.437 1.095 . . . . 70.01 111.614 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD13 HD23 ' A' ' 83' ' ' LEU . 42.6 mt -66.14 -51.16 60.48 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.754 -0.462 . . . . 71.22 109.754 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -58.1 -30.78 66.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.871 1.268 . . . . 74.15 112.574 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 46' ' ' GLU . . . -65.11 -57.32 8.9 Favored 'General case' 0 C--O 1.209 -1.069 0 N-CA-C 109.638 -0.505 . . . . 74.12 109.638 171.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.443 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . 46.5 mt-30 -57.44 -25.6 59.91 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 123.526 0.73 . . . . 73.32 112.699 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.443 HG21 ' HA ' ' A' ' 93' ' ' ALA . 90.8 mt -74.67 -49.04 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.379 0 C-N-CA 123.974 0.91 . . . . 75.23 111.047 168.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.494 ' HA ' HG23 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -67.18 -47.23 71.58 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.489 0.716 . . . . 75.14 111.859 -171.697 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 42' ' ' ALA . 3.1 mm-40 -52.66 -34.76 53.07 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.113 0.565 . . . . 70.41 111.061 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.9 m -77.17 -50.28 13.31 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.45 0.7 . . . . 72.45 112.756 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.494 HG23 ' HA ' ' A' ' 45' ' ' GLU . 12.5 tt -66.79 -25.78 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 122.065 -0.397 . . . . 74.43 111.042 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.66 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 62.0 t80 -70.22 -27.81 64.77 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.699 0.799 . . . . 75.51 111.476 175.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -71.43 -54.8 9.47 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.466 0.306 . . . . 73.43 110.993 173.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.37 -56.6 4.84 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.969 0.729 . . . . 73.02 112.969 -173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.76 -21.4 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 C-N-CA 123.126 0.57 . . . . 75.23 111.704 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.66 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -76.41 33.01 1.36 Allowed Glycine 0 N--CA 1.476 1.318 0 N-CA-C 116.561 1.384 . . . . 72.41 116.561 -169.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -73.92 3.07 7.27 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 123.312 0.645 . . . . 75.22 111.727 170.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p 58.47 24.25 11.61 Favored 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 126.172 1.789 . . . . 74.54 113.339 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -73.96 -58.02 3.58 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 123.909 0.884 . . . . 71.45 112.69 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.3 ttm -172.59 -61.9 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.033 0.933 . . . . 73.42 110.394 -175.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -57.05 -31.8 65.55 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.006 0.922 . . . . 75.31 112.664 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.8 t80 -53.49 -54.39 37.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.443 1.097 . . . . 74.01 112.094 176.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.46 -35.97 82.64 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.942 -0.572 . . . . 74.52 112.011 -175.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -75.26 -33.22 61.26 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.098 0.559 . . . . 65.13 111.896 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -61.06 -46.23 91.52 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.257 0.623 . . . . 75.44 110.853 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 59' ' ' TYR . 53.9 t -63.23 -49.45 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 O-C-N 123.971 0.794 . . . . 72.15 110.921 178.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -51.17 -50.34 59.18 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 123.928 0.891 . . . . 71.34 112.497 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.7 t -69.91 -35.42 74.57 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.964 -0.562 . . . . 65.13 111.995 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -64.52 -48.35 75.44 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.068 0.547 . . . . 73.3 111.069 -175.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.677 HG21 ' HE3' ' A' ' 71' ' ' LYS . 58.8 mt -58.78 -41.72 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.67 1.188 . . . . 74.21 111.14 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -63.6 -35.79 81.66 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 115.706 -0.679 . . . . 73.33 111.725 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -75.49 -29.68 59.63 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.789 0.835 . . . . 62.4 111.785 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.69 -54.47 19.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.245 0.618 . . . . 72.24 110.781 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.677 ' HE3' HG21 ' A' ' 67' ' ' ILE . 18.8 ptpt -80.36 4.77 16.83 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.721 0.808 . . . . 73.2 112.381 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.63 129.62 40.5 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.89 0.876 . . . . 73.05 111.733 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.82 -23.36 59.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.497 0.719 . . . . 74.22 112.002 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -76.33 -30.9 57.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.123 0.569 . . . . 75.3 111.348 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -140.73 77.72 21.72 Favored Pre-proline 0 CA--C 1.562 1.442 0 C-N-CA 123.216 0.606 . . . . 72.31 111.127 173.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -83.4 -13.81 8.43 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.619 2.212 . . . . 74.51 112.841 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.51 -24.2 65.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.326 1.05 . . . . 72.05 112.468 174.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.407 HD22 ' SD ' ' A' ' 100' ' ' MET . 38.0 tp -54.26 -41.8 69.21 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.364 0.666 . . . . 73.51 111.455 175.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -73.78 -49.18 26.63 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.017 0.527 . . . . 74.34 111.662 171.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -56.87 -39.6 74.62 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.382 0.882 . . . . 72.41 113.382 -171.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -68.28 -33.92 75.22 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.898 0.479 . . . . 75.34 112.053 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.4 t -75.31 -41.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-O 121.115 0.483 . . . . 74.15 110.854 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.464 HD23 HD13 ' A' ' 40' ' ' LEU . 86.7 mt -66.78 -35.16 79.44 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.994 0.918 . . . . 74.44 112.134 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.5 m -81.57 -6.02 58.58 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.467 0.707 . . . . 75.13 112.275 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.76 21.47 68.7 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 114.499 0.56 . . . . 72.1 114.499 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.92 -61.17 1.97 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.673 0.789 . . . . 73.04 111.093 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.427 HD13 ' HE1' ' A' ' 95' ' ' MET . 55.9 mt -84.95 119.45 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 109.215 -0.661 . . . . 75.12 109.215 175.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.5 p -74.82 146.44 82.93 Favored Pre-proline 0 CA--C 1.558 1.276 0 CA-C-O 119.301 -0.381 . . . . 60.13 111.351 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.443 ' HB3' ' HB3' ' A' ' 43' ' ' GLN . 11.6 Cg_exo -39.01 -42.87 2.17 Favored 'Trans proline' 0 C--N 1.385 2.473 0 C-N-CA 125.214 3.942 . . . . 75.42 116.95 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -46.91 72.98 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.988 0.515 . . . . 75.54 110.193 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -62.12 -52.98 61.7 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.805 0.842 . . . . 74.25 111.88 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.6 tp -61.08 -43.41 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 122.937 0.495 . . . . 74.23 111.843 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.443 ' HA ' HG21 ' A' ' 44' ' ' ILE . . . -54.26 -45.96 72.53 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.432 0.693 . . . . 74.22 112.801 -176.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 m -97.02 -3.31 10.13 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 113.16 0.8 . . . . 74.11 113.16 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.514 ' HE2' ' HG2' ' A' ' 100' ' ' MET . 40.1 ttp -68.69 129.81 41.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.819 0.448 . . . . 72.51 111.863 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.1 p -78.87 163.58 25.18 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.742 0.817 . . . . 74.32 112.219 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.1 p -59.51 -29.28 67.75 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 123.758 0.823 . . . . 71.24 112.297 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -62.44 -50.7 70.43 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.342 1.057 . . . . 75.13 110.975 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -72.99 -31.73 64.7 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 114.721 -1.127 . . . . 73.33 112.67 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.514 ' HG2' ' HE2' ' A' ' 95' ' ' MET . 66.7 mtm . . . . . 0 N--CA 1.484 1.255 0 C-N-CA 122.754 0.422 . . . . 74.3 111.544 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 113.796 1.035 . . . . 71.2 113.796 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.3 t -57.77 -61.33 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.916 0.486 . . . . 73.44 111.005 173.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -34.41 68.72 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.314 -0.403 . . . . 74.22 111.192 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.7 t-20 -55.98 -50.82 69.75 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.768 0.427 . . . . 72.42 111.511 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.39 -33.24 75.49 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 123.509 0.506 . . . . 75.42 111.795 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.2 m -64.15 -41.14 97.3 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.802 0.441 . . . . 64.23 111.613 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -59.05 -45.35 90.97 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.277 0.631 . . . . 64.14 110.876 171.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 25.0 mm-40 -61.0 -34.41 74.76 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.807 0.443 . . . . 75.34 111.98 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.4 mtm -75.69 -30.85 59.49 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.0 0.52 . . . . 72.03 112.187 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.09 -38.2 85.29 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.882 0.473 . . . . 73.53 110.38 171.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 m -64.26 -42.05 96.65 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.822 0.849 . . . . 74.13 110.353 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.0 71.64 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.909 0.884 . . . . 75.21 112.041 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.436 ' HB1' HG22 ' A' ' 67' ' ' ILE . . . -69.99 -43.53 71.27 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.467 0.707 . . . . 74.34 111.091 171.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 95.7 mt -77.08 -9.29 58.63 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 113.284 0.846 . . . . 74.23 113.284 -178.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -122.61 18.3 10.39 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.502 0.721 . . . . 75.45 111.148 175.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 t -58.17 -26.66 63.02 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 123.794 0.837 . . . . 74.33 113.155 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -127.02 9.57 6.85 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.51 0.724 . . . . 72.14 110.563 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 m80 57.35 23.23 8.66 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.203 1.001 . . . . 74.34 110.921 -166.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.64 -24.48 66.75 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.157 1.783 . . . . 74.04 114.238 -169.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.4 ' HA ' HD11 ' A' ' 83' ' ' LEU . 12.7 p80 -57.78 -27.89 63.49 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.376 0.67 . . . . 73.34 112.564 174.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -66.65 -38.66 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 C-N-CA 123.955 0.902 . . . . 75.2 111.732 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.78 -31.25 68.22 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.089 0.955 . . . . 75.13 112.897 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.451 HD12 ' SG ' ' A' ' 84' ' ' CYS . 67.4 mt -101.04 -23.62 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 123.99 0.916 . . . . 71.02 110.956 178.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.72 27.63 41.52 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-N 116.344 -0.389 . . . . 73.21 113.766 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.06 151.25 21.1 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.965 0.906 . . . . 75.31 112.661 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -90.11 88.57 7.32 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.76 0.824 . . . . 74.15 109.753 174.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.494 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 26.7 p -68.91 -38.73 79.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.976 0.91 . . . . 73.35 113.435 -170.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -33.47 75.26 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 122.59 0.356 . . . . 74.52 111.625 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -68.27 -42.68 79.23 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.537 0.735 . . . . 75.43 109.696 174.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 44' ' ' ILE . 96.3 mt -58.3 -45.97 87.0 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.915 0.486 . . . . 75.32 111.106 174.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -56.41 -41.01 75.62 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.269 1.028 . . . . 73.43 112.509 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -47.11 87.44 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.851 -0.613 . . . . 71.32 111.409 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -63.85 -44.92 91.71 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.593 0.757 . . . . 75.3 112.271 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 40' ' ' LEU . 85.2 mt -60.38 -50.92 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.111 0.964 . . . . 74.02 110.66 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -62.58 -48.46 79.38 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.843 -0.617 . . . . 64.4 111.498 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -62.67 -31.76 72.7 Favored 'General case' 0 CA--C 1.556 1.178 0 N-CA-C 113.216 0.821 . . . . 73.2 113.216 -176.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.8 m -62.03 -50.04 73.59 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.814 0.446 . . . . 64.22 112.104 172.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.594 ' HB ' ' HB2' ' A' ' 93' ' ' ALA . 10.3 tt -77.56 -25.17 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 C-N-CA 123.101 0.56 . . . . 71.12 111.572 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -62.21 -30.75 71.3 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.401 1.08 . . . . 74.15 112.63 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -57.54 -50.02 74.44 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 123.624 0.77 . . . . 74.35 111.984 -174.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -90.02 -55.51 3.59 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.562 0.696 . . . . 72.31 112.268 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.46 HG12 ' HE2' ' A' ' 58' ' ' LYS . 77.0 t -79.71 -25.26 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 124.072 0.949 . . . . 73.24 112.891 -167.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.18 24.28 1.11 Allowed Glycine 0 CA--C 1.545 1.95 0 N-CA-C 115.751 1.061 . . . . 61.23 115.751 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.463 HD22 ' HD3' ' A' ' 58' ' ' LYS . 25.8 p30 -66.31 -17.21 64.62 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.059 1.344 . . . . 64.22 112.063 166.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p 60.71 20.3 10.33 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 126.062 1.745 . . . . 74.44 114.224 172.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -66.35 -66.64 0.53 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.761 0.424 . . . . 74.32 111.328 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -153.14 -42.37 0.1 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 122.935 0.494 . . . . 74.21 111.487 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 62' ' ' ARG . 21.4 ptmt -52.83 -46.31 67.71 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.478 0.711 . . . . 74.14 112.198 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 87.2 t80 -56.68 -45.26 81.83 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.071 0.948 . . . . 74.14 112.534 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 10.7 mmpt? -55.73 -44.97 78.01 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.68 0.792 . . . . 74.04 111.654 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -69.58 -39.72 77.14 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.805 -0.634 . . . . 71.2 111.652 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 24.4 mmt85 -66.71 -33.86 76.58 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 122.782 0.433 . . . . 74.24 111.737 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 81.0 t -64.16 -48.77 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.189 0.596 . . . . 63.11 110.733 174.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -58.53 -45.17 89.42 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.704 0.401 . . . . 73.5 111.229 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.3 m -62.99 -38.63 91.95 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.964 0.905 . . . . 74.32 111.746 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -67.88 -52.83 32.0 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.655 0.382 . . . . 75.34 110.711 -178.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.436 HG22 ' HB1' ' A' ' 23' ' ' ALA . 93.8 mt -54.69 -43.43 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 124.504 1.122 . . . . 72.33 111.392 175.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.7 t -57.58 -49.75 75.39 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.003 0.921 . . . . 72.1 111.903 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.439 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 13.4 m120 -67.68 -31.85 72.1 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.193 0.597 . . . . 73.42 112.225 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.97 -40.72 91.5 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.013 0.525 . . . . 71.13 111.511 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 18.8 ptpt -102.31 14.91 30.7 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 123.4 0.68 . . . . 75.15 112.098 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 27.1 t70 -65.31 141.06 58.72 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.641 0.776 . . . . 74.25 112.514 -173.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.88 -19.16 27.74 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.432 0.693 . . . . 73.44 112.353 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -88.91 -23.17 22.79 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.007 0.523 . . . . 72.11 111.325 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.489 HD21 ' HB2' ' A' ' 78' ' ' LEU . 5.2 t30 -143.92 73.21 16.7 Favored Pre-proline 0 CA--C 1.569 1.684 0 C-N-CA 123.291 0.636 . . . . 73.25 109.619 174.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.27 -26.25 9.15 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 123.615 2.877 . . . . 73.32 114.171 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -66.01 -18.15 65.15 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.059 0.944 . . . . 73.44 113.198 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.489 ' HB2' HD21 ' A' ' 75' ' ' ASN . 22.7 tp -52.34 -52.45 53.25 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.344 1.058 . . . . 71.5 112.598 -175.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.404 ' HG3' HD23 ' A' ' 24' ' ' LEU . 37.8 ttp-105 -58.6 -41.35 85.6 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.745 -1.116 . . . . 73.22 111.241 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -69.17 -32.65 72.12 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.458 1.103 . . . . 75.04 111.86 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -70.24 -34.92 73.44 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.368 0.667 . . . . 62.33 111.614 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.84 -40.94 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.118 0.567 . . . . 75.14 110.443 173.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 30' ' ' HIS . 71.9 mt -63.77 -35.79 81.75 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.634 0.773 . . . . 70.11 111.98 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.451 ' SG ' HD12 ' A' ' 33' ' ' ILE . 86.4 m -80.89 -13.67 58.7 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.337 0.655 . . . . 62.43 112.444 177.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.86 75.35 Favored Glycine 0 N--CA 1.476 1.306 0 N-CA-C 114.079 0.392 . . . . 72.13 114.079 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.35 -38.81 78.29 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.44 0.696 . . . . 71.21 110.682 173.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 55.8 mt -103.66 129.28 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.846 0.858 . . . . 74.34 109.797 175.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.4 p -78.4 151.97 78.23 Favored Pre-proline 0 N--CA 1.486 1.345 0 C-N-CA 122.935 0.494 . . . . 64.22 110.986 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -50.54 -34.41 42.42 Favored 'Trans proline' 0 C--N 1.382 2.317 0 C-N-CA 123.433 2.756 . . . . 74.41 114.249 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -67.73 -44.86 76.59 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.742 0.817 . . . . 74.31 111.494 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -55.35 22.07 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.35 0.66 . . . . 64.32 111.947 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.4 tp -63.96 -34.63 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 C-N-CA 123.086 0.554 . . . . 63.13 112.253 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.594 ' HB2' ' HB ' ' A' ' 48' ' ' ILE . . . -59.2 -48.75 80.46 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.05 0.54 . . . . 73.33 112.395 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.2 m -99.13 8.61 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.468 0.707 . . . . 73.41 112.027 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 59.7 ttm -63.83 128.37 35.51 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.121 0.568 . . . . 75.53 111.918 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.1 p -89.6 160.37 16.7 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.188 0.595 . . . . 70.12 110.803 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.8 p -59.04 -36.22 74.66 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 124.052 0.941 . . . . 72.32 112.456 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.45 -50.21 64.13 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.264 1.026 . . . . 64.43 110.844 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.21 -40.85 94.71 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.898 1.279 . . . . 73.15 111.909 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.8 tmm? . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 124.907 1.283 . . . . 75.3 111.681 -177.095 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 112.821 0.675 . . . . 73.3 112.821 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 HG13 ' HG ' ' A' ' 16' ' ' CYS . 8.8 t -71.17 -47.39 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 122.86 0.464 . . . . 74.44 110.228 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -60.38 -34.63 74.17 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.545 -0.752 . . . . 74.5 111.76 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.39 -55.46 34.75 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.506 0.723 . . . . 73.4 110.692 176.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 9.7 mptt -69.33 -43.54 73.49 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.148 -0.933 . . . . 74.4 112.224 -175.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.469 ' HG ' HG13 ' A' ' 12' ' ' VAL . 79.9 m -61.72 -42.51 99.05 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.913 0.485 . . . . 73.35 111.682 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.432 HH21 ' HG2' ' A' ' 38' ' ' GLU . 77.7 ttt180 -64.39 -51.39 63.48 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.996 0.518 . . . . 75.32 111.862 176.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 15' ' ' LYS . 12.1 pt-20 -68.11 -32.75 73.27 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 112.433 0.531 . . . . 75.42 112.433 -175.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.605 ' SD ' HD11 ' A' ' 67' ' ' ILE . 22.5 ptp -75.8 -32.27 59.81 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 112.504 0.557 . . . . 75.44 112.504 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.03 -38.46 72.6 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 110.13 -0.322 . . . . 75.05 110.13 171.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.433 HG23 HE21 ' A' ' 25' ' ' GLN . 54.0 m -62.59 -35.53 79.82 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.361 0.664 . . . . 71.42 110.825 171.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.567 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -67.3 -36.04 80.69 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.095 0.958 . . . . 70.21 111.712 176.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.13 -27.85 67.66 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.588 0.755 . . . . 70.3 111.824 173.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -82.02 -29.43 31.99 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.509 0.723 . . . . 72.5 112.329 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.567 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 9.9 pt20 -103.33 12.36 35.52 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 123.691 0.797 . . . . 73.14 112.191 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -55.98 -37.67 69.39 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.135 0.974 . . . . 71.01 112.428 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.76 -87.99 0.45 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.427 0.691 . . . . 73.32 109.288 170.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -174.47 18.6 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 CA-C-N 118.601 0.637 . . . . 75.33 111.815 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.81 -40.89 76.81 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 125.461 1.504 . . . . 63.12 114.656 -162.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -63.9 -25.5 68.18 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.192 0.597 . . . . 74.53 112.167 -173.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.3 t -73.49 -48.01 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.509 0.724 . . . . 74.24 111.127 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.08 70.17 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.688 0.795 . . . . 73.22 112.585 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.514 HD13 ' HG3' ' A' ' 80' ' ' ARG . 70.4 mt -86.92 -31.48 6.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 123.606 0.763 . . . . 63.4 111.407 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.49 45.46 8.66 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 116.524 -0.307 . . . . 73.54 113.445 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.16 129.52 27.62 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.591 0.756 . . . . 63.45 110.251 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.66 117.39 9.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.201 0.6 . . . . 64.22 111.122 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.7 p -72.99 -21.98 60.76 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 113.221 0.822 . . . . 70.52 113.221 -175.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' HG2' HH21 ' A' ' 17' ' ' ARG . 39.4 tt0 -66.95 -48.55 68.23 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.068 0.547 . . . . 72.42 112.008 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -67.12 -35.06 78.93 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.462 0.705 . . . . 71.11 112.173 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' ILE . 79.8 mt -65.71 -47.16 76.31 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.204 0.601 . . . . 73.11 110.48 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.44 ' HA ' HD13 ' A' ' 44' ' ' ILE . 45.3 t -63.51 -31.4 72.55 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.042 0.937 . . . . 75.01 112.241 175.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.81 -40.56 88.1 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.53 0.732 . . . . 74.44 111.37 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -70.17 -31.23 68.61 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 116.337 -0.392 . . . . 63.02 111.731 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 41' ' ' SER . 76.6 mt -60.97 -43.41 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 122.761 0.424 . . . . 72.42 110.091 171.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.19 -41.26 78.99 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.068 0.947 . . . . 74.04 112.917 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.44 -51.39 63.37 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.057 0.543 . . . . 75.41 111.879 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.97 -34.94 79.62 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.456 -0.793 . . . . 73.41 112.604 -175.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 tt -77.51 -35.17 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 109.957 -0.386 . . . . 70.42 109.957 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.76 -28.2 69.81 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.621 0.769 . . . . 71.15 112.877 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 -70.31 -39.55 74.75 Favored 'General case' 0 CA--C 1.557 1.214 0 O-C-N 121.665 -0.647 . . . . 73.53 111.618 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -86.09 -38.69 17.53 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.526 0.73 . . . . 71.43 111.577 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.646 HG12 ' HD2' ' A' ' 58' ' ' LYS . 40.8 t -110.21 -9.8 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 124.42 1.088 . . . . 74.31 112.969 -163.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.63 5.01 0.19 Allowed Glycine 0 N--CA 1.489 2.193 0 N-CA-C 117.723 1.849 . . . . 72.2 117.723 -171.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -74.19 1.55 11.05 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 123.992 0.917 . . . . 73.24 111.596 165.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.1 p 61.25 -105.74 0.21 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.361 1.864 . . . . 65.13 111.369 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t70 60.06 -179.27 0.09 Allowed 'General case' 0 CA--C 1.578 2.04 0 CA-C-N 118.963 0.801 . . . . 72.5 111.713 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -22.92 64.09 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.508 -0.745 . . . . 72.02 111.732 169.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.646 ' HD2' HG12 ' A' ' 52' ' ' VAL . 2.6 tmtp? -56.5 -52.12 65.92 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.527 0.731 . . . . 75.43 110.406 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -65.93 -52.28 51.25 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.201 0.6 . . . . 75.14 111.92 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.02 -43.78 98.38 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.12 0.968 . . . . 74.25 112.907 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -76.51 -39.93 51.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.618 0.599 . . . . 75.23 112.618 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -66.12 -37.1 84.9 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.164 0.431 . . . . 75.31 112.164 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.426 HG12 ' SD ' ' A' ' 19' ' ' MET . 87.0 t -64.31 -55.22 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 122.535 0.334 . . . . 70.22 111.211 176.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -62.04 -31.82 72.26 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 112.24 0.459 . . . . 75.53 112.24 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 t -69.91 -49.21 54.35 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.595 0.758 . . . . 72.31 111.919 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -59.76 -31.43 69.65 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 112.949 0.722 . . . . 74.32 112.949 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.605 HD11 ' SD ' ' A' ' 19' ' ' MET . 69.0 mt -52.13 -50.22 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.211 0.604 . . . . 71.34 111.627 175.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.2 p -66.14 -37.3 85.35 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.24 0.616 . . . . 70.54 111.678 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.81 -40.87 92.28 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 123.947 0.899 . . . . 73.42 112.119 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.74 -44.22 82.08 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.616 0.766 . . . . 74.42 111.251 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HE3' HG21 ' A' ' 67' ' ' ILE . 18.2 ptpt -84.57 -2.68 57.74 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.012 0.745 . . . . 74.14 113.012 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -71.99 143.52 49.17 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 120.951 0.405 . . . . 65.24 111.454 -175.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.51 -17.11 61.77 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 113.268 0.84 . . . . 65.23 113.268 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -72.45 -46.58 54.34 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 122.727 0.411 . . . . 72.21 110.045 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -124.11 76.23 59.47 Favored Pre-proline 0 CA--C 1.566 1.596 0 C-N-CA 123.393 0.677 . . . . 64.03 111.823 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.12 -26.49 7.63 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 122.09 1.86 . . . . 70.14 111.59 166.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.629 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 4.3 m-20 -67.25 -18.47 65.23 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.905 0.882 . . . . 72.44 112.346 174.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.15 -55.94 28.5 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.168 0.587 . . . . 75.23 110.92 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -73.99 -34.59 64.25 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.068 -0.515 . . . . 75.4 110.827 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.629 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 15.9 ttt180 -58.78 -41.66 87.18 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.219 1.008 . . . . 74.41 112.053 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -69.32 -31.75 70.41 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.042 0.537 . . . . 72.12 111.755 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 87' ' ' ILE . 52.6 t -66.43 -42.41 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-O 121.343 0.592 . . . . 75.35 110.443 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 68.7 mt -69.91 -30.9 68.43 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.145 0.978 . . . . 74.44 112.026 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.8 t -85.89 -15.24 42.39 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.571 0.748 . . . . 75.21 111.781 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.41 8.56 77.47 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 114.451 0.54 . . . . 74.13 114.451 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.9 -54.75 13.81 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.452 0.701 . . . . 64.14 110.426 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 82' ' ' VAL . 79.7 mt -89.93 123.0 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 108.333 -0.988 . . . . 63.44 108.333 167.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.4 ' OG1' ' HG2' ' A' ' 91' ' ' GLN . 30.8 p -75.24 153.61 86.21 Favored Pre-proline 0 N--CA 1.48 1.053 0 C-N-CA 122.189 0.196 . . . . 74.54 110.979 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -52.07 -23.69 17.82 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 123.175 2.583 . . . . 75.34 114.13 170.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.52 -47.77 45.8 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.802 0.441 . . . . 74.02 111.06 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.4 ' HG2' ' OG1' ' A' ' 88' ' ' THR . 14.7 mm100 -60.41 -51.84 67.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.04 0.536 . . . . 75.13 111.571 -176.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.38 -23.14 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 N-CA-C 112.142 0.423 . . . . 74.42 112.142 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.36 -32.15 29.41 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.691 0.796 . . . . 74.55 112.762 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.7 m -95.54 -26.29 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 112.618 0.599 . . . . 75.24 112.618 -177.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 61.3 mtm -77.73 134.15 38.15 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.112 0.565 . . . . 75.21 111.495 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.4 p -76.38 165.56 24.66 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.139 0.575 . . . . 75.11 110.455 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 32.4 p -56.37 -23.27 36.59 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 124.338 1.055 . . . . 74.3 113.652 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -71.31 -43.58 66.82 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.465 0.706 . . . . 75.44 111.172 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -71.08 -35.4 71.86 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 123.952 0.901 . . . . 73.4 111.428 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 69.7 mtp . . . . . 0 CA--C 1.558 1.282 0 C-N-CA 124.252 1.021 . . . . 75.31 111.037 175.561 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 112.175 0.435 . . . . 73.1 112.175 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.91 -59.46 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.776 0.83 . . . . 73.41 112.415 -170.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -61.62 -30.47 70.71 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.666 0.786 . . . . 71.32 111.629 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -63.42 -49.42 73.81 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.87 0.468 . . . . 74.52 110.878 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -71.8 -33.32 68.45 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.027 -0.533 . . . . 71.42 111.766 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -61.04 -47.36 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.032 0.533 . . . . 74.14 110.655 174.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -55.01 -45.68 75.14 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.219 1.008 . . . . 75.04 110.87 173.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -59.37 -48.92 79.81 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.638 0.775 . . . . 75.25 112.696 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.2 mtm -74.3 -33.93 63.36 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.633 0.773 . . . . 73.22 112.825 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.3 -41.59 76.58 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.755 0.422 . . . . 73.52 110.821 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -64.34 -36.8 85.3 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.086 0.554 . . . . 75.33 110.848 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.465 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -64.83 -34.82 79.27 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.713 0.805 . . . . 72.11 111.648 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB3' HG23 ' A' ' 67' ' ' ILE . . . -65.06 -37.4 87.45 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.532 0.733 . . . . 75.41 111.526 174.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.447 HD23 HD21 ' A' ' 70' ' ' LEU . 89.1 mt -76.99 -7.57 55.85 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.817 0.847 . . . . 75.04 113.073 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.465 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 3.7 pt20 -125.08 10.35 8.14 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.653 0.781 . . . . 75.21 111.932 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.7 t -58.1 -28.19 64.38 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.173 0.805 . . . . 75.42 113.173 -168.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -154.16 54.4 0.7 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.612 0.765 . . . . 74.43 109.244 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.9 m170 61.34 34.34 18.47 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.285 1.034 . . . . 72.13 113.327 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.52 -52.54 64.07 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.811 0.844 . . . . 75.02 111.539 -175.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -71.53 -26.24 62.57 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 116.027 -0.533 . . . . 75.11 112.135 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.28 -34.02 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.895 0.878 . . . . 73.23 111.385 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.8 72.79 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.783 0.833 . . . . 72.24 112.051 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.539 HD12 ' HD2' ' A' ' 80' ' ' ARG . 54.7 mt -98.94 -16.39 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.508 0 C-N-CA 124.06 0.944 . . . . 74.25 111.272 -178.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.88 14.34 82.26 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 122.85 0.262 . . . . 74.41 113.359 -174.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.41 ' HB2' HD11 ' A' ' 40' ' ' LEU . . . -77.18 138.22 39.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.261 1.024 . . . . 74.35 112.372 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.504 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 14.5 m-20 -78.73 93.5 4.94 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.889 0.476 . . . . 72.32 110.788 177.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.2 p -62.85 -22.46 66.7 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.628 0.771 . . . . 72.5 112.95 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.24 -52.77 64.25 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.022 0.929 . . . . 72.04 112.565 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.504 ' HE ' ' HB2' ' A' ' 36' ' ' ASP . 16.7 ptt180 -74.88 -35.82 62.28 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.611 0.364 . . . . 65.03 111.508 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 44' ' ' ILE . 94.9 mt -59.98 -46.17 90.31 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.066 0.547 . . . . 72.31 111.574 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.7 t -56.95 -46.99 81.74 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.203 1.001 . . . . 71.31 111.837 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.12 73.47 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.815 0.846 . . . . 72.43 112.303 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -77.15 -37.94 52.85 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.373 0.669 . . . . 75.45 112.757 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 40' ' ' LEU . 72.7 mt -61.83 -43.78 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-O 121.901 0.858 . . . . 75.22 109.377 172.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.38 -48.21 82.3 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 113.459 -1.7 . . . . 74.53 112.198 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.34 -33.54 76.07 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 112.078 0.399 . . . . 74.1 112.078 -174.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.3 m -69.07 -49.68 55.2 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.904 0.482 . . . . 73.55 111.182 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.488 ' HB ' ' HB2' ' A' ' 93' ' ' ALA . 15.6 tt -72.21 -24.34 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.483 0 C-N-CA 123.26 0.624 . . . . 75.21 111.673 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -62.19 -25.53 67.83 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.615 1.166 . . . . 71.24 112.82 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -55.03 -60.87 2.78 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.497 0.719 . . . . 75.13 112.239 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.37 -53.66 4.45 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.426 0.631 . . . . 74.43 111.688 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.464 HG12 ' HG3' ' A' ' 58' ' ' LYS . 47.7 t -85.24 -14.2 11.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 C-N-CA 124.254 1.022 . . . . 74.41 113.077 -169.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.99 31.8 1.3 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 115.587 0.995 . . . . 72.23 115.587 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -95.48 13.36 26.26 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 125.871 1.669 . . . . 72.43 112.278 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.2 p 56.32 19.34 3.9 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 125.584 1.554 . . . . 63.32 114.089 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.476 ' HB3' ' HG2' ' A' ' 58' ' ' LYS . 37.1 t70 -75.57 172.21 12.96 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.517 0.727 . . . . 73.34 110.974 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 82.2 mtp -56.17 -28.4 57.94 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.133 0.573 . . . . 73.51 112.277 172.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.476 ' HG2' ' HB3' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -62.31 -39.2 92.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.967 0.507 . . . . 71.15 110.687 173.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 84.0 t80 -70.24 -48.83 55.22 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.09 0.956 . . . . 75.04 111.019 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -60.61 -37.73 82.38 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.779 0.831 . . . . 73.45 111.502 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -69.08 -47.15 65.99 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.702 0.801 . . . . 74.12 110.545 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -61.04 -40.05 92.14 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.28 0.632 . . . . 75.4 111.924 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 67' ' ' ILE . 78.2 t -66.78 -56.34 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 122.937 0.495 . . . . 73.51 110.842 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HA ' HD11 ' A' ' 67' ' ' ILE . 15.4 ptm180 -60.28 -36.91 78.93 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 122.995 0.518 . . . . 74.12 112.37 -177.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.6 m -70.12 -41.56 73.8 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.174 0.59 . . . . 74.11 110.377 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -42.61 98.82 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.16 0.584 . . . . 72.02 111.204 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.526 HG23 ' HB3' ' A' ' 23' ' ' ALA . 81.4 mt -55.83 -47.77 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 124.261 1.024 . . . . 73.52 110.83 176.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -61.69 -36.39 80.74 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.623 0.769 . . . . 74.5 112.069 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -74.12 -32.45 63.19 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.494 0.718 . . . . 61.51 111.727 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.447 HD21 HD23 ' A' ' 24' ' ' LEU . 97.6 mt -74.34 -9.74 58.9 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.905 0.882 . . . . 75.55 111.804 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -124.4 14.55 8.91 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.61 0.764 . . . . 74.54 112.524 172.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -65.77 143.04 57.75 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 113.282 0.845 . . . . 74.35 113.282 -170.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.09 -30.98 20.71 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.356 1.062 . . . . 72.24 111.63 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -74.23 -31.72 62.7 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.427 0.691 . . . . 73.22 110.728 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.57 ' HB3' ' HB2' ' A' ' 78' ' ' LEU . 28.5 m-80 -121.92 78.57 40.98 Favored Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 124.596 1.158 . . . . 73.04 110.594 173.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.29 -28.86 12.0 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.321 2.014 . . . . 61.14 111.045 171.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.91 -23.72 62.33 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.394 1.077 . . . . 63.25 111.59 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 75' ' ' ASN . 33.2 tp -63.1 -58.01 8.69 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.771 0.428 . . . . 71.41 110.471 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -64.71 -41.95 95.62 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.714 0.805 . . . . 64.44 111.564 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.539 ' HD2' HD12 ' A' ' 33' ' ' ILE . 28.5 tpt180 -54.93 -49.91 70.13 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.645 0.778 . . . . 75.12 111.728 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . 92.0 m-20 -75.74 -32.52 60.03 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 112.557 0.577 . . . . 74.24 112.557 -175.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 78' ' ' LEU . 75.4 t -62.47 -49.09 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 CA-C-N 118.583 0.629 . . . . 74.34 110.483 174.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.3 mt -68.46 -31.04 70.05 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 123.786 0.834 . . . . 74.31 111.9 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.0 t -82.01 -12.3 58.38 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.01 0.524 . . . . 75.51 112.146 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.26 6.27 84.44 Favored Glycine 0 CA--C 1.54 1.626 0 N-CA-C 114.449 0.539 . . . . 71.24 114.449 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' A' ' 81' ' ' ASN . . . -73.03 -47.84 41.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.498 0.719 . . . . 73.14 111.408 176.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.8 mt -88.03 123.35 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 109.037 -0.727 . . . . 62.12 109.037 168.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.6 p -75.38 149.84 84.51 Favored Pre-proline 0 CA--C 1.557 1.249 0 C-N-CA 123.061 0.544 . . . . 74.23 111.782 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -45.76 -36.34 14.69 Favored 'Trans proline' 0 C--N 1.381 2.259 0 C-N-CA 124.106 3.204 . . . . 73.34 115.588 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -29.51 60.89 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.5 0.556 . . . . 64.05 112.5 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.47 -60.24 2.73 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.664 0.386 . . . . 75.24 110.887 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.55 -26.81 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 123.132 0.573 . . . . 74.31 111.949 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.488 ' HB2' ' HB ' ' A' ' 48' ' ' ILE . . . -65.69 -43.72 88.38 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 123.018 0.527 . . . . 55.44 112.411 174.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.4 m -94.84 -18.62 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 N-CA-C 113.505 0.928 . . . . 74.44 113.505 -173.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 79.3 mtp -70.05 126.9 31.03 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 112.32 0.489 . . . . 74.51 112.32 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.0 p -92.15 177.2 6.23 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.071 0.948 . . . . 62.22 110.946 175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.8 p -61.36 -30.74 70.72 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.456 0.702 . . . . 75.34 111.251 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -61.8 -45.89 91.91 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.214 1.006 . . . . 63.23 111.035 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -70.2 -34.9 73.5 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.385 0.674 . . . . 73.42 111.999 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 61.5 mtp . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 123.933 0.893 . . . . 74.34 111.95 175.861 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.111 0 N-CA-C 114.892 1.442 . . . . 64.51 114.892 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -68.3 -51.93 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 CA-C-N 118.173 0.442 . . . . 75.33 111.672 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -65.99 -27.44 68.14 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.966 0.906 . . . . 74.0 112.283 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -77.02 -56.63 4.42 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 122.529 0.332 . . . . 74.1 110.668 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -59.54 -38.91 82.27 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.296 1.038 . . . . 75.25 113.21 -173.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.497 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.1 t -64.49 -52.72 56.44 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 122.649 0.379 . . . . 73.23 111.913 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -27.95 69.19 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 118.728 0.695 . . . . 73.31 112.532 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.0 -39.57 83.18 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.833 0.679 . . . . 71.21 112.833 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.1 ptp -75.04 -27.7 60.13 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.261 0.225 . . . . 71.44 110.951 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 81.3 mt -69.39 -35.09 75.45 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.921 0.488 . . . . 74.4 111.228 170.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.479 HG22 ' HG ' ' A' ' 37' ' ' CYS . 50.4 m -63.95 -44.29 93.26 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.037 0.535 . . . . 74.43 109.87 172.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.16 73.13 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.973 0.909 . . . . 74.33 111.871 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.27 -30.29 68.37 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.263 0.625 . . . . 73.31 111.735 173.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -86.48 -3.68 59.05 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.549 0.74 . . . . 74.41 112.544 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.503 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 33.3 mm-40 -80.45 -9.73 59.75 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.438 0.695 . . . . 73.02 111.875 171.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.482 HG21 ' O ' ' A' ' 70' ' ' LEU . 15.2 t -59.01 -31.46 68.83 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.869 0.868 . . . . 71.12 112.084 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -118.06 135.63 54.06 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.451 1.1 . . . . 71.33 110.307 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -79.91 2.2 24.32 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.254 0.622 . . . . 73.2 112.062 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -57.25 -31.13 65.24 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.794 0.838 . . . . 73.53 113.018 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.532 ' HB3' HD22 ' A' ' 83' ' ' LEU . 51.0 p-80 -62.4 -33.15 74.21 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 118.336 0.516 . . . . 73.02 111.815 176.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.9 t -74.81 -52.69 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.086 0.555 . . . . 72.42 110.647 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.45 90.92 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.156 0.982 . . . . 65.03 113.061 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.513 HG23 ' HA ' ' A' ' 84' ' ' CYS . 81.9 mt -73.9 -29.91 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.955 0.902 . . . . 75.22 110.777 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.53 31.86 12.63 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-N 116.386 -0.37 . . . . 52.33 113.171 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.22 110.81 22.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.785 0.834 . . . . 61.21 109.773 174.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.489 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 5.4 m-20 -70.28 109.78 4.89 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.246 0.546 . . . . 75.13 110.563 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.503 ' SG ' ' NE2' ' A' ' 25' ' ' GLN . 23.0 p -68.07 -5.82 19.58 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.15 1.167 . . . . 44.4 114.15 -172.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.38 -36.74 77.09 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 123.133 0.573 . . . . 72.4 112.264 172.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 11.5 ptp180 -73.75 -34.2 64.64 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 122.691 0.396 . . . . 73.4 110.302 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 44' ' ' ILE . 88.9 mt -65.42 -51.38 60.69 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.322 0.649 . . . . 72.21 110.535 177.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -62.45 -35.73 80.2 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.143 0.977 . . . . 73.54 112.585 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.23 67.94 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.632 0.773 . . . . 63.44 112.556 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -77.41 -30.41 53.5 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 122.445 0.298 . . . . 72.33 111.617 172.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 40' ' ' LEU . 73.9 mt -63.42 -38.1 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 CA-C-O 121.316 0.579 . . . . 71.51 109.516 168.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -61.0 -41.38 96.42 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.104 1.362 . . . . 54.21 113.128 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -31.76 58.61 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 116.425 -0.352 . . . . 75.43 111.232 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.461 ' HA ' ' NH2' ' A' ' 50' ' ' ARG . 74.3 m -66.95 -49.2 66.2 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.407 0.683 . . . . 75.31 112.324 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.3 tt -66.58 -33.07 61.03 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.342 0 C-N-CA 123.026 0.531 . . . . 72.44 111.779 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -66.43 -25.71 66.88 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.508 0.929 . . . . 74.22 113.508 -174.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.461 ' NH2' ' HA ' ' A' ' 47' ' ' CYS . 74.8 mtm-85 -67.36 -49.95 61.86 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 121.749 -0.595 . . . . 75.31 112.433 -177.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.13 -41.9 12.0 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.123 0.569 . . . . 71.32 112.509 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.468 HG13 ' HA ' ' A' ' 59' ' ' TYR . 22.0 t -93.51 -11.11 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 123.967 0.907 . . . . 74.12 112.367 -171.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.65 28.74 0.49 Allowed Glycine 0 CA--C 1.54 1.631 0 N-CA-C 117.024 1.57 . . . . 72.43 117.024 -173.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -64.98 -21.86 66.91 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 117.925 0.862 . . . . 72.01 110.733 161.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t 50.1 29.88 3.85 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 126.989 2.116 . . . . 75.32 114.197 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -94.22 -82.72 0.35 Allowed 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 115.799 -0.637 . . . . 72.21 110.683 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.1 ttp -119.22 -44.03 2.6 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.387 1.075 . . . . 75.51 110.214 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HG2' HG12 ' A' ' 52' ' ' VAL . 45.0 tttp -52.58 -46.9 67.09 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.285 1.434 . . . . 74.11 112.274 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.468 ' HA ' HG13 ' A' ' 52' ' ' VAL . 37.2 t80 -58.52 -51.09 71.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.255 1.022 . . . . 75.5 111.967 -177.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -55.23 -50.96 68.1 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.552 0.741 . . . . 73.31 112.131 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -73.06 -34.32 66.2 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.344 0.657 . . . . 74.53 112.356 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -68.41 -36.02 78.49 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.515 0.726 . . . . 71.24 111.197 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 59' ' ' TYR . 95.1 t -65.15 -44.64 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 CA-C-N 115.868 -0.605 . . . . 74.32 110.817 172.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -64.02 -33.36 75.57 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 122.78 0.432 . . . . 74.44 111.882 176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.9 t -65.24 -40.91 94.66 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.556 0.742 . . . . 74.53 110.576 174.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH1' ' SD ' ' A' ' 100' ' ' MET . 6.7 tpm_? -61.9 -46.78 87.87 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.399 0.68 . . . . 65.55 111.115 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 63' ' ' VAL . 93.5 mt -60.0 -50.79 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.919 0.888 . . . . 74.11 111.925 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.3 p -66.48 -42.68 87.1 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.392 0.677 . . . . 74.2 111.832 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -63.88 -22.53 66.96 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.557 0.743 . . . . 74.33 112.728 172.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.482 ' O ' HG21 ' A' ' 26' ' ' THR . 76.8 mt -83.46 -23.48 32.22 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 112.271 0.471 . . . . 73.53 112.271 170.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -106.21 6.56 30.91 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 113.636 0.976 . . . . 73.23 113.636 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.71 121.62 24.96 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 118.039 0.381 . . . . 72.01 111.675 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.09 -9.86 58.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 114.534 1.309 . . . . 74.04 114.534 -172.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -84.31 -21.74 30.89 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.585 0.587 . . . . 75.44 112.585 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -130.48 88.95 45.6 Favored Pre-proline 0 N--CA 1.493 1.702 0 C-N-CA 123.225 0.61 . . . . 74.43 109.555 172.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -81.04 -24.06 4.95 Favored 'Trans proline' 0 C--N 1.374 1.879 0 C-N-CA 122.677 2.251 . . . . 75.35 114.309 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.26 -33.98 75.66 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.886 1.275 . . . . 71.11 112.044 -174.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.2 tp -51.26 -53.92 30.84 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.168 1.387 . . . . 72.04 113.662 -172.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.587 ' HD2' ' H ' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -74.7 -36.2 62.74 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 115.884 -0.598 . . . . 74.01 111.359 -168.128 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -61.72 -36.93 82.38 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.259 0.35 . . . . 75.44 111.223 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.586 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 65.1 m-80 -64.53 -35.58 81.42 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.522 0.564 . . . . 74.02 112.522 172.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.2 t -68.76 -39.92 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 CA-C-O 121.315 0.579 . . . . 73.13 110.724 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 30' ' ' HIS . 85.3 mt -79.66 -15.25 57.93 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.92 0.888 . . . . 63.15 112.21 -177.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.586 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 17.4 p -96.78 -13.67 22.47 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.061 0.544 . . . . 73.03 111.324 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.6 8.55 63.83 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 114.341 0.496 . . . . 71.24 114.341 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.09 -52.42 23.95 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.317 0.647 . . . . 73.05 110.794 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 73.7 mt -91.15 122.85 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 108.696 -0.853 . . . . 71.42 108.696 167.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 p -75.53 155.8 85.37 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 122.753 0.421 . . . . 74.04 110.891 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -54.66 -28.07 54.53 Favored 'Trans proline' 0 C--N 1.374 1.921 0 C-N-CA 122.918 2.412 . . . . 74.02 113.886 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -43.7 53.69 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.501 0.72 . . . . 73.53 110.798 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -66.44 -45.75 78.77 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.149 0.579 . . . . 71.14 112.205 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.4 tp -60.09 -35.76 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-O 120.644 0.259 . . . . 71.1 111.278 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.53 87.99 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.511 0.725 . . . . 62.32 112.621 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.2 m -92.51 -19.39 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 113.959 1.096 . . . . 74.03 113.959 -172.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 61.7 mtm -69.19 138.46 54.09 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 118.382 0.537 . . . . 71.32 111.192 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.7 p -74.5 166.97 22.63 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.168 0.587 . . . . 74.43 111.911 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 92.9 p -59.93 -31.46 69.87 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.101 0.561 . . . . 71.2 111.78 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.19 -40.5 97.67 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.713 0.805 . . . . 74.22 112.169 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.67 -47.96 57.25 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.706 0.765 . . . . 75.31 110.871 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.433 ' SD ' ' NH1' ' A' ' 66' ' ' ARG . 66.9 mtm . . . . . 0 N--CA 1.481 1.124 0 CA-C-N 114.738 -1.119 . . . . 62.05 113.41 -172.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.206 0 N-CA-C 114.345 1.239 . . . . 62.2 114.345 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.8 t -71.86 -63.4 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 CA-C-N 118.829 0.74 . . . . 72.4 111.435 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -34.97 75.16 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.272 0.629 . . . . 73.01 111.949 -170.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -64.9 -49.06 71.92 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 110.187 -0.301 . . . . 55.11 110.187 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.476 ' HB3' ' HZ3' ' A' ' 15' ' ' LYS . 7.5 ttpm? -60.92 -41.53 96.36 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.271 0.628 . . . . 75.15 112.179 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -56.9 -46.07 82.17 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.961 0.504 . . . . 62.03 111.258 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -65.79 -42.09 91.16 Favored 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 123.89 0.876 . . . . 73.23 110.862 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.75 -39.01 93.23 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 124.278 1.031 . . . . 64.55 112.472 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.2 mtm -74.39 -37.34 63.44 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.564 0.746 . . . . 73.33 111.488 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.14 -36.47 79.73 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.568 0.347 . . . . 73.33 110.819 172.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.571 HG21 ' SG ' ' A' ' 37' ' ' CYS . 66.5 m -64.96 -42.89 94.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.319 0.648 . . . . 72.12 111.011 174.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.96 -32.77 74.66 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.608 0.763 . . . . 65.32 111.538 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -70.01 -28.26 65.35 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.737 0.815 . . . . 71.34 111.671 172.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.41 HD21 ' HE1' ' A' ' 30' ' ' HIS . 95.0 mt -86.7 -16.07 37.61 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.375 0.67 . . . . 73.11 112.388 173.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -104.24 -2.0 26.3 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 123.811 0.845 . . . . 74.41 112.715 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -58.87 -33.09 70.08 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.151 0.5 . . . . 73.43 111.599 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -89.03 -29.36 19.52 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.021 0.928 . . . . 73.23 112.273 176.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 m80 62.84 5.9 1.96 Allowed 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 124.923 1.289 . . . . 70.51 113.001 -171.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.41 -24.65 60.31 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.918 0.887 . . . . 72.4 110.706 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.483 ' HD2' ' HB3' ' A' ' 35' ' ' ALA . 2.2 m80 -55.52 -41.02 72.54 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.887 0.875 . . . . 74.42 111.748 170.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.4 t -68.42 -37.64 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 123.232 0.613 . . . . 65.32 110.972 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.65 85.81 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.802 0.841 . . . . 72.25 112.244 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.0 mt -78.31 -26.5 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.631 0.773 . . . . 74.33 110.992 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.89 0.74 68.32 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-N 116.43 -0.35 . . . . 74.12 113.079 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.483 ' HB3' ' HD2' ' A' ' 30' ' ' HIS . . . -78.14 110.64 13.29 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.551 0.74 . . . . 55.33 110.479 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.05 129.19 37.52 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.562 0.345 . . . . 74.22 110.865 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.571 ' SG ' HG21 ' A' ' 21' ' ' THR . 7.7 p -73.82 -31.67 63.34 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.382 1.253 . . . . 74.42 114.382 -172.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.35 -41.35 73.27 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 123.051 0.541 . . . . 75.22 112.366 -172.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -65.06 -33.3 75.72 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.287 0.635 . . . . 72.23 111.205 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 44' ' ' ILE . 73.1 mt -67.0 -55.39 14.66 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.12 0.568 . . . . 72.35 110.611 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -60.03 -32.46 70.92 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.922 0.889 . . . . 75.4 112.429 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.77 -41.9 86.99 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.5 0.72 . . . . 73.5 112.239 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -71.64 -33.55 69.02 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.955 0.502 . . . . 70.44 111.612 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 40' ' ' LEU . 79.6 mt -61.92 -45.54 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.438 0.695 . . . . 73.31 109.873 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -69.71 -34.36 73.79 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.422 -0.808 . . . . 71.42 111.586 -177.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -34.58 72.66 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 113.965 1.098 . . . . 72.35 113.965 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.0 m -76.61 -49.24 16.77 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.004 0.372 . . . . 71.21 112.004 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.599 HG21 HH12 ' A' ' 66' ' ' ARG . 3.7 tt -70.3 -34.54 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 123.631 0.772 . . . . 74.24 112.411 -177.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.98 -25.3 60.84 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.734 1.214 . . . . 74.05 113.233 -172.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -67.31 -50.45 60.14 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.594 0.758 . . . . 75.43 111.419 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -90.23 -47.39 7.81 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.865 0.866 . . . . 63.11 112.741 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.452 ' HB ' HG12 ' A' ' 48' ' ' ILE . 56.6 t -102.26 -18.19 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 124.381 1.073 . . . . 72.31 112.659 -170.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.45 30.39 1.01 Allowed Glycine 0 CA--C 1.547 2.09 0 N-CA-C 115.828 1.091 . . . . 73.41 115.828 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -82.89 6.2 19.27 Favored 'General case' 0 CA--C 1.565 1.529 0 C-N-CA 125.732 1.613 . . . . 70.25 112.508 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.1 p 61.73 21.85 12.51 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 125.615 1.566 . . . . 75.02 113.411 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.82 170.64 16.24 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.236 1.015 . . . . 72.31 111.07 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.0 ttm -51.96 -34.91 44.22 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.757 1.223 . . . . 74.32 112.194 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -54.08 -51.2 64.88 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.21 1.004 . . . . 71.01 111.659 171.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -66.64 -37.82 85.6 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.481 1.112 . . . . 75.22 112.177 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -64.11 -44.98 90.62 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.122 0.569 . . . . 75.21 110.944 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -68.24 -39.08 82.38 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-N 115.596 -0.729 . . . . 71.41 111.504 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -67.68 -42.8 81.52 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.734 0.814 . . . . 74.32 112.682 -176.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.3 t -67.76 -47.19 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 122.829 0.452 . . . . 54.03 111.255 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.539 ' HA ' HD13 ' A' ' 67' ' ' ILE . 39.6 ptt180 -64.88 -28.91 69.86 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 112.121 0.415 . . . . 73.3 112.121 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -59.12 -41.54 88.46 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.354 0.662 . . . . 75.43 111.564 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.599 HH12 HG21 ' A' ' 48' ' ' ILE . 99.3 mtt180 -64.54 -54.05 38.36 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.976 0.511 . . . . 74.51 111.083 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' A' ' 64' ' ' ARG . 60.3 mt -51.9 -43.98 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 124.499 1.12 . . . . 73.41 111.508 -176.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.5 t -58.07 -51.83 68.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.475 1.11 . . . . 71.51 111.94 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' HB3' ' A' ' 100' ' ' MET . 61.6 t30 -72.37 -28.08 62.79 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.132 0.973 . . . . 71.14 112.34 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.432 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 90.4 mt -82.9 -4.84 58.64 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.008 0.923 . . . . 73.01 112.337 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HE3' HG21 ' A' ' 67' ' ' ILE . 18.5 ptpt -121.17 5.37 10.31 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.216 0.606 . . . . 72.14 111.011 169.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.99 131.06 37.22 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.263 0.625 . . . . 45.3 112.068 -171.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.92 62.85 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.039 0.936 . . . . 74.23 112.854 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.2 -24.32 37.53 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.59 0.756 . . . . 73.51 110.9 -175.556 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -122.66 81.02 48.12 Favored Pre-proline 0 CA--C 1.562 1.441 0 C-N-CA 122.965 0.506 . . . . 74.41 110.373 169.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -83.64 -20.94 4.43 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.731 2.288 . . . . 64.34 112.694 170.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.98 -50.17 73.49 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.48 1.112 . . . . 74.53 112.544 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.523 HD23 HD11 ' A' ' 92' ' ' ILE . 68.0 tp -55.43 -55.19 34.63 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.555 0.742 . . . . 73.1 112.256 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -71.81 -30.27 65.33 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.571 0.748 . . . . 73.44 112.607 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.63 ' HA ' HD13 ' A' ' 83' ' ' LEU . 2.7 tmt_? -69.94 -36.23 75.14 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.924 0.89 . . . . 73.25 109.901 178.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.44 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 91.8 m-20 -67.17 -41.73 85.44 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.713 -0.676 . . . . 73.52 111.121 172.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.89 -30.08 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.615 0 C-N-CA 122.842 0.457 . . . . 74.23 111.347 175.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.63 HD13 ' HA ' ' A' ' 80' ' ' ARG . 45.5 mt -61.64 -53.96 49.18 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.77 0.828 . . . . 74.33 110.864 174.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 26.3 p -81.37 -10.76 59.47 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.831 0.853 . . . . 60.44 112.692 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.86 64.43 1.87 Allowed Glycine 0 CA--C 1.537 1.451 0 C-N-CA 122.799 0.238 . . . . 70.22 113.225 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.49 -54.21 2.47 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.188 0.995 . . . . 73.5 109.929 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 81' ' ' ASN . 1.7 mp -80.64 127.25 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 N-CA-C 109.033 -0.729 . . . . 71.34 109.033 170.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.2 p -76.92 148.52 79.0 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 115.885 -0.598 . . . . 74.12 110.63 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.91 -21.9 60.1 Favored 'Trans proline' 0 C--N 1.372 1.779 0 C-N-CA 122.502 2.135 . . . . 60.32 114.243 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -71.86 -34.12 68.96 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 117.735 0.243 . . . . 72.22 111.445 174.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -61.78 -59.38 5.24 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.984 0.514 . . . . 74.42 111.213 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.523 HD11 HD23 ' A' ' 78' ' ' LEU . 7.1 tp -60.92 -20.94 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 CA-C-O 121.296 0.569 . . . . 73.15 112.046 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.498 ' HA ' ' NH2' ' A' ' 66' ' ' ARG . . . -73.1 -46.96 48.31 Favored 'General case' 0 CA--C 1.557 1.229 0 N-CA-C 112.477 0.547 . . . . 75.51 112.477 173.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.8 m -88.26 -24.52 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 N-CA-C 113.254 0.835 . . . . 74.5 113.254 -172.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 67.0 mtm -70.45 128.82 37.47 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.282 0.475 . . . . 71.13 112.282 -175.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.1 p -63.83 167.35 6.14 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.979 0.912 . . . . 74.54 111.046 177.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.7 t -61.86 -29.04 69.92 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 112.023 0.379 . . . . 74.24 112.023 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.45 -36.61 81.51 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.525 0.73 . . . . 71.31 110.812 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -77.76 -34.56 52.38 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.482 0.713 . . . . 72.35 111.404 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.45 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 67.1 mtp . . . . . 0 CA--C 1.557 1.23 0 C-N-CA 123.799 0.84 . . . . 73.41 111.394 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.948 0 N-CA-C 111.796 0.295 . . . . 71.11 111.796 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.06 -55.55 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 123.33 0.652 . . . . 73.4 111.218 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -62.74 -42.92 99.9 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.435 0.694 . . . . 75.31 111.184 -177.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.75 -42.86 94.85 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.023 0.529 . . . . 74.2 111.134 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -62.6 -46.31 88.87 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.241 0.616 . . . . 71.33 111.319 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -57.86 -46.34 84.95 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.002 0.921 . . . . 73.44 111.625 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -57.61 -45.96 84.67 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.809 1.244 . . . . 71.32 111.442 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -77.28 -25.7 51.67 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.493 0.923 . . . . 75.23 113.493 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.1 mtm -75.04 -31.57 61.34 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.818 0.447 . . . . 71.4 111.263 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' ' 45' ' ' GLU . 62.2 mt -70.17 -34.01 72.47 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.342 0.257 . . . . 72.33 110.682 170.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.7 m -61.24 -47.1 87.59 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.838 0.455 . . . . 63.2 110.332 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.68 75.54 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.096 0.959 . . . . 62.13 111.817 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.67 95.25 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.663 0.785 . . . . 65.23 111.634 172.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.575 HD22 HD21 ' A' ' 70' ' ' LEU . 98.2 mt -78.04 -6.96 56.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 113.552 0.945 . . . . 73.1 113.552 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -125.21 13.17 8.3 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.135 0.574 . . . . 73.02 112.047 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -57.42 -35.66 70.34 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.766 0.654 . . . . 74.41 112.766 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -118.58 24.25 11.01 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.807 0.843 . . . . 74.13 110.745 174.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.8 m80 53.83 38.32 28.37 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.713 0.805 . . . . 74.54 110.501 -166.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -57.04 -43.19 81.7 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.672 1.189 . . . . 75.15 113.042 -164.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -64.8 -30.22 71.22 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.211 0.819 . . . . 73.22 113.211 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.8 -36.49 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 C-N-CA 123.527 0.731 . . . . 63.14 111.463 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.33 70.22 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.251 0.62 . . . . 53.43 111.931 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -90.47 -29.39 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 C-N-CA 124.028 0.931 . . . . 71.25 111.852 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.81 10.12 57.97 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 122.391 -0.193 . . . . 71.54 113.376 -173.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.1 159.26 26.16 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.992 0.917 . . . . 73.14 112.393 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 8.3 m-20 -107.37 96.25 6.28 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.826 0.85 . . . . 73.44 109.772 175.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.7 p -68.45 -33.4 74.11 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 114.079 1.14 . . . . 73.53 114.079 -166.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -37.64 87.92 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 112.963 0.727 . . . . 74.21 112.963 -175.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 14.8 ptp180 -82.85 -29.99 28.98 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.608 0.363 . . . . 72.54 111.244 177.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 75.0 mt -66.27 -43.67 85.78 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.537 0.335 . . . . 74.22 111.202 176.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.1 p -65.62 -35.9 82.15 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.978 0.911 . . . . 73.31 111.491 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.71 91.25 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.471 0.709 . . . . 72.11 111.519 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 59.5 mt-30 -67.5 -40.06 85.19 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.334 0.653 . . . . 73.02 111.365 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 40' ' ' LEU . 74.7 mt -61.13 -53.88 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-O 121.314 0.578 . . . . 72.4 110.733 177.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.618 ' HB3' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -69.97 -32.44 70.67 Favored 'General case' 0 C--O 1.209 -1.066 0 CA-C-N 115.459 -0.791 . . . . 74.5 112.553 -173.474 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -73.62 -32.87 64.28 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 118.97 0.804 . . . . 63.02 112.009 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.5 m -59.91 -49.69 76.7 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.1 0.56 . . . . 71.33 111.11 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.9 tt -76.42 -25.01 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.531 0 CA-C-N 115.978 -0.555 . . . . 71.42 111.392 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -72.85 -31.85 65.04 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 123.435 0.694 . . . . 74.02 111.8 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 47.0 mtm105 -72.53 -19.73 61.46 Favored 'General case' 0 CA--C 1.558 1.262 0 O-C-N 121.806 -0.559 . . . . 74.22 111.523 174.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -91.31 -41.73 10.77 Favored 'General case' 0 CA--C 1.569 1.688 0 C-N-CA 123.716 0.807 . . . . 75.53 112.541 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.553 HG12 ' HE2' ' A' ' 58' ' ' LYS . 71.6 t -113.34 -10.34 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 125.137 1.375 . . . . 74.24 112.53 -164.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.98 2.16 1.08 Allowed Glycine 0 N--CA 1.486 2.009 0 N-CA-C 117.132 1.613 . . . . 73.14 117.132 -171.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -63.64 -13.05 38.82 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.855 0.862 . . . . 73.01 111.588 167.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p 60.9 -91.46 0.03 OUTLIER 'General case' 0 C--N 1.359 1.01 0 C-N-CA 126.496 1.919 . . . . 73.42 111.895 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 t70 56.68 -74.96 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 125.047 1.339 . . . . 72.34 112.129 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.6 ttp -147.25 -41.29 0.18 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.395 1.078 . . . . 71.41 110.313 171.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.553 ' HE2' HG12 ' A' ' 52' ' ' VAL . 21.4 ptmt -55.16 -40.64 70.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.523 1.129 . . . . 74.34 113.798 -170.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -59.39 -49.07 79.24 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.257 0.466 . . . . 63.0 112.257 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.36 -44.25 96.91 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.401 0.68 . . . . 72.43 111.738 -176.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -67.69 -43.28 80.5 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.584 0.753 . . . . 73.34 111.906 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -64.6 -35.58 81.46 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.589 0.755 . . . . 74.31 111.714 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 67' ' ' ILE . 62.6 t -64.38 -48.97 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 122.63 0.372 . . . . 64.32 110.625 173.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -53.25 -41.41 65.45 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 123.686 0.794 . . . . 73.52 112.229 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.0 m -68.02 -42.54 80.47 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 115.785 -0.643 . . . . 71.34 111.397 175.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -33.33 72.39 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.033 0.533 . . . . 71.43 112.016 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.469 HG21 ' HD2' ' A' ' 71' ' ' LYS . 73.9 mt -60.15 -53.06 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 108.805 -0.813 . . . . 72.31 108.805 172.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 t -54.96 -36.25 65.13 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.6 1.16 . . . . 61.3 112.36 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -76.0 -33.26 59.69 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.564 0.745 . . . . 73.23 112.268 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.575 HD21 HD22 ' A' ' 24' ' ' LEU . 69.7 mt -88.04 -6.08 58.14 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 122.825 0.45 . . . . 73.2 112.023 -177.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.469 ' HD2' HG21 ' A' ' 67' ' ' ILE . 19.1 ptmt -121.48 15.09 11.19 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.765 0.826 . . . . 75.21 110.41 173.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -62.95 133.35 54.49 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.326 0.861 . . . . 75.05 113.326 -163.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.9 -36.46 49.56 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 114.5 -1.227 . . . . 53.4 110.982 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -67.91 -49.28 62.78 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 115.652 -0.704 . . . . 74.15 110.943 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -115.79 90.13 26.0 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.955 0.902 . . . . 62.31 109.746 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.72 -29.47 29.28 Favored 'Trans proline' 0 C--N 1.374 1.915 0 C-N-CA 122.35 2.033 . . . . 75.24 111.373 171.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.562 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 13.9 m-20 -70.36 -19.86 63.01 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.436 -0.802 . . . . 74.04 112.311 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' ' 100' ' ' MET . 26.8 tp -60.22 -54.78 41.78 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.209 0.604 . . . . 70.33 111.776 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -68.3 -41.41 80.96 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.372 0.669 . . . . 72.33 111.474 172.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.562 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 52.4 ttt180 -56.81 -41.35 77.62 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.586 1.154 . . . . 73.13 112.478 -177.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -65.03 -40.64 95.15 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.308 0.643 . . . . 73.51 111.418 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.407 HG23 HG12 ' A' ' 92' ' ' ILE . 40.6 t -67.56 -42.63 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.058 0.543 . . . . 62.43 110.544 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 73.0 mt -68.87 -28.67 66.92 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 115.217 -0.901 . . . . 64.34 111.562 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.1 t -82.45 -15.87 50.98 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.432 0.693 . . . . 52.45 111.483 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.07 2.34 80.84 Favored Glycine 0 CA--C 1.538 1.484 0 CA-C-O 119.343 -0.698 . . . . 64.22 114.332 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.61 -53.15 60.9 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.95 0.9 . . . . 73.31 111.659 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -101.01 123.02 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 108.529 -0.915 . . . . 74.33 108.529 168.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.2 p -70.58 145.96 93.24 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 123.175 0.59 . . . . 74.21 111.444 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -47.44 -34.16 18.8 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 124.008 3.139 . . . . 71.35 115.802 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.82 -46.66 77.75 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.01 0.524 . . . . 71.51 110.856 176.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -63.04 -48.28 79.38 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.877 0.871 . . . . 53.43 111.545 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.407 HG12 HG23 ' A' ' 82' ' ' VAL . 10.6 tp -71.0 -11.35 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 112.177 0.436 . . . . 72.24 112.177 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.24 -34.36 28.85 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.317 0.647 . . . . 75.1 112.151 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.4 m -109.16 -22.84 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 113.529 0.937 . . . . 75.03 113.529 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.483 ' HE2' ' HG2' ' A' ' 100' ' ' MET . 38.7 ttp -70.34 131.56 44.33 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.973 0.909 . . . . 65.23 111.169 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.7 p -70.61 164.08 25.65 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.08 0.552 . . . . 74.42 112.314 -173.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 87.9 p -57.45 -43.48 84.0 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.432 0.901 . . . . 53.13 113.432 -169.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -64.48 -49.42 71.45 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.708 0.403 . . . . 75.22 111.314 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -57.56 -45.48 85.1 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.044 0.538 . . . . 74.22 111.247 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.544 ' HB3' HD11 ' A' ' 78' ' ' LEU . 65.0 mtm . . . . . 0 N--CA 1.481 1.099 0 C-N-CA 123.776 0.831 . . . . 71.22 111.944 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.049 0 N-CA-C 113.403 0.89 . . . . 73.54 113.403 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.643 HG11 HG23 ' A' ' 55' ' ' THR . 58.6 t -58.54 -57.66 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 123.632 0.773 . . . . 70.41 112.172 174.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 ptm85 -68.15 -30.97 70.22 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.446 0.698 . . . . 72.31 111.991 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.435 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 38.2 t-20 -65.31 -44.08 88.98 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.037 0.535 . . . . 75.4 109.703 173.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -64.05 -36.44 84.0 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.958 0.903 . . . . 74.12 111.43 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.0 t -59.96 -53.51 56.99 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.587 0.755 . . . . 63.11 111.864 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -64.94 -31.67 73.01 Favored 'General case' 0 CA--C 1.556 1.179 0 O-C-N 123.138 0.274 . . . . 72.11 111.366 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 37.7 mm-40 -63.17 -40.94 98.98 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 122.792 0.437 . . . . 73.45 111.913 173.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.436 ' HE3' HG13 ' A' ' 63' ' ' VAL . 73.8 mtm -72.34 -38.0 68.7 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.172 0.589 . . . . 72.2 111.723 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.28 -41.69 85.06 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.73 0.412 . . . . 75.42 110.965 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.462 HG22 ' SG ' ' A' ' 37' ' ' CYS . 96.8 m -65.27 -31.74 73.04 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.296 0.638 . . . . 74.25 111.108 174.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -59.19 -37.65 77.92 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.247 0.619 . . . . 71.22 111.622 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -72.56 -31.05 64.95 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.618 0.767 . . . . 74.21 112.065 174.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.9 mt -82.37 -19.51 39.07 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.284 0.634 . . . . 74.34 112.205 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 8.3 pt20 -109.79 -4.18 16.23 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.489 0.715 . . . . 74.52 112.484 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 t -56.8 -33.29 66.54 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.655 0.741 . . . . 62.2 111.373 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -112.93 159.92 18.59 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.452 1.101 . . . . 75.24 108.813 163.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -82.06 44.09 0.83 Allowed 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.391 0.615 . . . . 74.42 110.41 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -72.45 -50.79 23.61 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.952 1.301 . . . . 75.42 110.617 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -60.77 -26.52 67.3 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.79 -0.641 . . . . 75.52 112.187 175.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -72.76 -41.98 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.234 0.614 . . . . 65.02 110.24 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.05 77.08 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.668 0.787 . . . . 73.32 111.893 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.483 HD13 ' HG ' ' A' ' 84' ' ' CYS . 93.9 mt -84.7 -22.53 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.402 0 C-N-CA 124.526 1.13 . . . . 74.41 111.648 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.74 50.46 9.15 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 113.696 0.238 . . . . 53.23 113.696 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.01 137.25 34.5 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.084 0.953 . . . . 71.02 110.858 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.14 103.57 8.16 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.3 0.64 . . . . 61.32 110.492 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' A' ' 21' ' ' THR . 16.2 p -66.84 -21.05 66.04 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.456 0.91 . . . . 75.41 113.456 -175.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -70.0 -33.63 72.29 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.088 0.773 . . . . 61.12 113.088 -178.218 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -84.33 -26.7 28.29 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.942 0.497 . . . . 72.33 111.749 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.4 -38.42 74.64 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.678 0.391 . . . . 65.22 111.498 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -62.56 -35.04 78.2 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.815 0.846 . . . . 73.43 111.687 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.27 -31.13 69.93 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.15 0.98 . . . . 73.24 112.201 173.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.494 ' HB3' ' HB2' ' A' ' 89' ' ' PRO . 34.9 tt0 -78.68 -24.35 45.13 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 112.755 0.65 . . . . 72.03 112.755 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.29 -44.36 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.112 -0.993 . . . . 73.11 108.632 163.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.54 -49.15 78.45 Favored 'General case' 0 CA--C 1.554 1.135 0 C-N-CA 124.73 1.212 . . . . 63.14 112.95 -175.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HG3' ' HG ' ' A' ' 47' ' ' CYS . 10.7 pt-20 -50.39 -40.91 51.08 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 124.111 0.964 . . . . 70.34 112.024 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.604 ' SG ' ' HG2' ' A' ' 90' ' ' GLN . 65.8 m -77.67 -52.05 9.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.71 0.804 . . . . 72.12 112.182 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.8 tt -69.16 -25.07 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 122.725 0.41 . . . . 64.23 111.64 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.699 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 63.9 t80 -66.78 -26.03 66.76 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.69 0.796 . . . . 75.31 111.758 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -77.99 -38.13 45.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.526 0.73 . . . . 74.12 112.123 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.64 -56.84 3.13 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.881 0.697 . . . . 72.34 112.881 -176.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.495 HG11 ' HB2' ' A' ' 59' ' ' TYR . 1.3 t -115.81 -16.96 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 123.457 0.703 . . . . 75.24 112.239 -171.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.699 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -78.44 22.21 3.32 Favored Glycine 0 N--CA 1.482 1.721 0 N-CA-C 116.329 1.291 . . . . 72.52 116.329 -168.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -84.88 34.18 0.54 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.822 0.849 . . . . 73.04 111.431 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.643 HG23 HG11 ' A' ' 12' ' ' VAL . 27.7 p 53.74 33.62 17.2 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 125.312 1.445 . . . . 74.24 111.644 -169.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -67.26 164.71 17.74 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 125.319 1.448 . . . . 71.15 112.78 -173.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.8 ttm -60.95 -68.63 0.29 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.058 0.943 . . . . 70.22 111.627 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -57.68 -25.05 59.71 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 113.383 0.883 . . . . 70.35 113.383 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.495 ' HB2' HG11 ' A' ' 52' ' ' VAL . 33.3 t80 -51.44 -37.27 47.81 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.82 1.248 . . . . 74.31 113.552 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -68.23 -43.61 77.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.826 0.451 . . . . 75.33 111.807 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.414 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 5.6 m-80 -74.95 -29.68 61.0 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.168 0.587 . . . . 75.01 111.374 173.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -63.38 -42.65 98.83 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.143 0.577 . . . . 71.45 111.524 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.436 HG13 ' HE3' ' A' ' 19' ' ' MET . 97.6 t -62.9 -55.12 25.61 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 CA-C-N 115.615 -0.72 . . . . 61.22 110.821 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.444 ' HA ' HD11 ' A' ' 67' ' ' ILE . 15.9 ptt180 -66.86 -30.17 70.27 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 112.643 0.608 . . . . 75.43 112.643 -174.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.0 m -72.63 -33.15 66.43 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 122.789 0.436 . . . . 64.41 111.625 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -72.37 -38.28 68.57 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.712 0.405 . . . . 75.03 110.587 173.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.615 HG23 ' HB2' ' A' ' 23' ' ' ALA . 95.7 mt -56.51 -42.71 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 124.119 0.967 . . . . 70.34 110.831 170.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.7 t -59.0 -39.03 80.57 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.819 0.847 . . . . 75.04 111.803 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -28.84 62.26 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.069 0.548 . . . . 63.11 112.221 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.25 -15.4 60.99 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.4 0.68 . . . . 75.4 112.632 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -120.76 14.04 11.64 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.588 0.755 . . . . 74.41 111.536 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -82.46 149.83 27.38 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.388 0.675 . . . . 73.33 112.464 -170.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.46 -12.34 58.93 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.797 1.036 . . . . 71.21 113.797 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.69 -46.78 65.25 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 118.283 0.492 . . . . 74.23 111.223 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -156.01 89.33 2.84 Favored Pre-proline 0 CA--C 1.562 1.44 0 CA-C-N 116.385 -0.37 . . . . 74.32 111.144 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.98 -16.64 15.85 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.847 2.364 . . . . 71.45 112.014 168.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.53 -30.45 68.61 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.107 0.963 . . . . 55.21 111.413 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 92' ' ' ILE . 55.2 tp -53.47 -51.64 62.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.301 1.04 . . . . 73.31 111.578 178.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -56.34 -42.79 78.29 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.206 -0.907 . . . . 75.43 110.846 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -63.51 -41.49 98.52 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.386 0.674 . . . . 73.33 111.7 -178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -61.93 -42.63 99.32 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.429 0.692 . . . . 75.21 111.796 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.2 t -66.64 -39.82 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 C-N-CA 122.952 0.501 . . . . 64.14 111.13 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.99 -33.48 74.71 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.647 0.779 . . . . 74.24 111.898 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.483 ' HG ' HD13 ' A' ' 33' ' ' ILE . 71.4 m -81.47 -14.11 57.39 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.461 0.704 . . . . 71.2 112.316 177.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.8 15.84 81.27 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 114.154 0.422 . . . . 62.41 114.154 -177.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.72 -58.83 5.21 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.627 0.771 . . . . 65.2 110.335 174.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.61 118.92 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 106.743 -1.577 . . . . 73.23 106.743 162.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.3 p -71.91 145.12 88.78 Favored Pre-proline 0 N--CA 1.48 1.046 0 N-CA-C 110.246 -0.279 . . . . 74.23 110.246 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.494 ' HB2' ' HB3' ' A' ' 43' ' ' GLN . 74.2 Cg_exo -53.97 -21.15 20.26 Favored 'Trans proline' 0 CA--C 1.565 2.042 0 C-N-CA 122.583 2.188 . . . . 74.51 114.283 173.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.604 ' HG2' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -67.36 -46.91 71.98 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.58 0.752 . . . . 73.0 109.628 172.547 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.67 -50.63 71.71 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.456 0.703 . . . . 75.02 111.638 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.408 HD13 HD13 ' A' ' 78' ' ' LEU . 8.2 tp -61.92 -30.42 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 112.571 0.582 . . . . 75.44 112.571 -170.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.29 75.4 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.584 0.754 . . . . 75.22 112.546 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.4 m -94.27 -19.18 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 123.168 0.587 . . . . 75.04 112.339 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 83.9 mtp -64.25 137.65 58.04 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.485 0.55 . . . . 71.31 112.485 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.419 ' O ' ' HG3' ' A' ' 100' ' ' MET . 17.2 m -68.09 147.76 51.88 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.182 0.993 . . . . 74.4 110.831 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.541 ' HA ' ' HE2' ' A' ' 100' ' ' MET . 75.1 p -50.84 -45.22 59.54 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.081 0.952 . . . . 61.14 113.562 -175.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.08 -48.21 71.72 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 112.761 0.652 . . . . 74.13 112.761 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.16 -17.06 64.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 112.146 0.425 . . . . 75.4 112.146 -177.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.541 ' HE2' ' HA ' ' A' ' 97' ' ' SER . 39.7 mtm . . . . . 0 CA--C 1.558 1.275 0 CA-C-O 121.053 0.454 . . . . 73.21 111.257 173.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HA ' ' HB3' ' A' ' 14' ' ' ASN . . . . . . . . 0 CA--C 1.554 1.112 0 N-CA-C 112.304 0.483 . . . . 71.42 112.304 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.0 t -57.73 -62.18 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.391 0.677 . . . . 71.05 111.277 171.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -33.94 65.92 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.163 0.585 . . . . 74.53 111.382 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.469 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 3.1 t-20 -59.34 -56.35 23.24 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.447 0.299 . . . . 74.44 110.754 177.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 19' ' ' MET . 87.0 tttt -61.71 -32.72 72.95 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.129 0.572 . . . . 65.1 111.717 178.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -58.09 -48.25 80.73 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.201 0.6 . . . . 75.41 111.94 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -63.22 -43.48 97.96 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.023 0.529 . . . . 75.22 110.143 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 60.4 mm-40 -58.02 -49.25 77.53 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.117 0.567 . . . . 74.2 112.257 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 24.5 ptt? -75.93 -28.21 57.89 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 113.154 0.798 . . . . 71.52 113.154 -176.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' A' ' 45' ' ' GLU . 55.4 mt -69.62 -32.79 71.7 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 122.105 -0.372 . . . . 72.33 111.431 169.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.488 ' HG1' ' HA ' ' A' ' 38' ' ' GLU . 79.5 m -67.2 -38.55 85.5 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 120.887 0.375 . . . . 72.24 110.288 170.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.587 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -61.3 -35.52 77.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.737 0.815 . . . . 64.23 111.721 176.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.56 -30.98 71.79 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.91 0.884 . . . . 71.32 112.427 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.7 mt -87.34 -30.74 20.59 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.812 0.671 . . . . 75.04 112.812 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.587 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 2.5 pt20 -94.82 -4.44 47.13 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 123.254 0.622 . . . . 74.22 112.215 -176.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -51.79 -34.31 39.27 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 123.717 0.807 . . . . 70.5 112.188 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -130.75 173.04 11.32 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.653 1.181 . . . . 75.33 109.735 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -95.08 35.91 1.25 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.272 0.629 . . . . 75.44 112.376 -171.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.57 -52.4 52.57 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.56 0.744 . . . . 72.21 109.882 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.479 ' HB3' HD23 ' A' ' 83' ' ' LEU . 13.2 p80 -63.68 -24.95 67.99 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 114.954 -1.021 . . . . 74.22 112.156 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -71.53 -48.89 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 122.767 0.427 . . . . 73.45 110.482 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.95 -34.58 74.95 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 115.565 -0.743 . . . . 55.31 111.938 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -81.19 -34.41 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 C-N-CA 123.796 0.838 . . . . 73.03 111.65 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.09 18.81 41.7 Favored Glycine 0 N--CA 1.481 1.693 0 C-N-CA 122.942 0.306 . . . . 74.52 113.098 -174.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.599 ' HB2' HD11 ' A' ' 40' ' ' LEU . . . -84.74 134.95 34.32 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.601 1.161 . . . . 72.11 112.416 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -82.43 97.26 8.29 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.614 0.766 . . . . 72.4 109.519 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.3 p -62.2 -35.34 78.56 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.211 0.819 . . . . 73.41 113.211 -169.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.488 ' HA ' ' HG1' ' A' ' 21' ' ' THR . 32.5 tt0 -61.14 -51.12 70.42 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.371 0.668 . . . . 65.21 111.832 173.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 60.1 ttt180 -57.72 -45.58 85.57 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 114.633 -1.167 . . . . 73.21 111.739 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 35' ' ' ALA . 58.8 mt -65.44 -46.32 80.35 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.382 0.673 . . . . 74.55 111.244 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -56.69 -38.7 72.62 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.103 0.961 . . . . 73.44 112.145 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.08 76.43 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.571 0.749 . . . . 70.42 111.892 176.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 16.2 mm-40 -77.07 -32.4 56.77 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.156 0.583 . . . . 75.21 111.002 177.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.31 -53.37 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-O 121.386 0.612 . . . . 75.15 110.923 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.451 ' HA ' HG23 ' A' ' 48' ' ' ILE . 3.1 pp20? -69.79 -31.46 69.39 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.504 -0.771 . . . . 73.22 112.992 -171.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -31.71 70.44 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 111.874 0.324 . . . . 74.42 111.874 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 90' ' ' GLN . 83.4 m -67.11 -49.54 64.59 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.169 0.588 . . . . 75.24 111.583 174.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.494 HD12 ' HG3' ' A' ' 62' ' ' ARG . 9.3 tt -71.99 -23.61 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 122.834 0.454 . . . . 74.51 111.383 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.665 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 74.5 t80 -58.91 -38.46 78.97 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.651 0.78 . . . . 74.45 111.501 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -74.13 -27.39 60.83 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.865 -0.607 . . . . 74.13 112.384 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -88.98 -56.5 3.26 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 122.753 0.421 . . . . 72.44 112.117 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -115.17 -22.28 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 C-N-CA 123.512 0.725 . . . . 74.34 112.218 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.665 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -79.06 28.01 2.27 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 117.097 1.599 . . . . 51.3 117.097 -165.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.496 HD21 ' H ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -79.31 49.68 1.0 Allowed 'General case' 0 CA--C 1.568 1.65 0 CA-C-N 117.605 0.702 . . . . 72.22 111.253 169.386 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p 41.26 70.92 0.23 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.784 1.633 . . . . 73.12 112.395 -173.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -117.04 163.06 16.81 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.019 0.527 . . . . 73.21 112.26 -164.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 70.2 mtp -60.39 -63.99 1.11 Allowed 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 125.16 1.384 . . . . 74.14 112.088 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -25.86 68.55 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 112.464 0.542 . . . . 75.23 112.464 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -52.96 -39.42 62.93 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.862 0.865 . . . . 73.05 112.822 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -60.89 -48.76 80.35 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.909 0.484 . . . . 73.53 111.869 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.42 -35.15 79.6 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.509 0.723 . . . . 73.44 111.508 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.494 ' HG3' HD12 ' A' ' 48' ' ' ILE . 6.4 tpm_? -69.91 -37.9 76.09 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.153 0.981 . . . . 74.11 111.486 -176.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.5 t -72.86 -45.08 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 123.434 0.693 . . . . 74.44 111.917 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.479 ' HA ' HD13 ' A' ' 67' ' ' ILE . 15.7 ptm180 -69.57 -28.09 65.68 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 112.162 0.43 . . . . 71.52 112.162 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -66.42 -29.29 69.41 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.001 0.52 . . . . 74.51 111.967 170.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -65.69 -53.64 38.32 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 110.044 -0.354 . . . . 74.23 110.044 168.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 64' ' ' ARG . 78.0 mt -53.18 -45.7 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 C-N-CA 124.759 1.224 . . . . 75.23 112.693 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.6 p -59.77 -50.97 71.74 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.084 0.954 . . . . 73.51 111.827 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.45 -27.17 62.15 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.683 0.793 . . . . 74.33 112.905 -177.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.96 -43.39 88.07 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.619 0.368 . . . . 72.52 111.149 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -91.95 2.38 56.58 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 112.602 0.593 . . . . 71.23 112.602 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -78.18 148.32 34.11 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.089 0.556 . . . . 72.11 111.669 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.09 -14.19 51.07 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 113.586 0.958 . . . . 63.55 113.586 -173.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.17 -27.27 63.42 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 117.937 0.335 . . . . 75.31 111.729 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -144.67 87.88 7.31 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 122.817 0.447 . . . . 72.11 109.823 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.38 -34.37 35.0 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.974 2.449 . . . . 72.14 111.654 171.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.567 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 5.7 m-20 -68.82 -15.53 63.53 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.146 -0.934 . . . . 74.03 113.091 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.88 -52.17 66.19 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.719 0.407 . . . . 74.14 111.472 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -69.53 -45.52 68.63 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.691 0.396 . . . . 75.42 110.854 172.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.567 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 38.8 ttp180 -63.97 -30.45 71.53 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.295 1.038 . . . . 73.14 113.237 -170.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.62 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 94.8 m-20 -74.93 -33.85 62.02 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.227 0.611 . . . . 72.3 111.2 176.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.5 -37.35 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 121.425 0.631 . . . . 71.21 110.466 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' A' ' 30' ' ' HIS . 67.8 mt -70.72 -37.34 73.51 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-N 115.114 -0.948 . . . . 71.32 111.689 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 26.5 p -85.98 -7.53 58.59 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 112.129 0.418 . . . . 72.31 112.129 177.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.33 11.98 82.68 Favored Glycine 0 C--N 1.35 1.36 0 N-CA-C 114.613 0.605 . . . . 64.55 114.613 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.74 -55.0 17.03 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.196 0.598 . . . . 72.25 109.995 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 74.3 mt -89.87 129.99 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 108.165 -1.05 . . . . 65.12 108.165 163.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.1 p -78.1 145.61 69.64 Favored Pre-proline 0 N--CA 1.482 1.136 0 O-C-N 122.178 -0.326 . . . . 73.41 110.211 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -51.48 -26.13 20.94 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 123.19 2.594 . . . . 63.54 114.89 176.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.445 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 1.6 tm0? -73.15 -44.77 59.56 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.095 0.558 . . . . 63.22 111.032 175.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -57.92 -56.65 19.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.409 0.683 . . . . 72.11 111.815 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.7 tp -57.43 -30.09 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 112.634 0.605 . . . . 73.45 112.634 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.95 80.46 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.466 0.706 . . . . 73.54 112.139 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.2 m -98.54 -11.64 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.479 0 N-CA-C 113.043 0.756 . . . . 73.23 113.043 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.6 mtp -69.91 127.02 31.43 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.808 0.843 . . . . 73.25 111.218 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.3 t -75.19 177.31 6.57 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.849 0.46 . . . . 63.13 111.983 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.8 p -59.06 -36.48 75.13 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.953 0.901 . . . . 71.13 111.748 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.21 -47.9 84.0 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 122.947 0.499 . . . . 72.11 110.697 173.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -64.52 -30.97 72.0 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.782 0.833 . . . . 73.31 113.076 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 CA--C 1.56 1.327 0 N-CA-C 112.208 0.447 . . . . 73.02 112.208 175.91 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.187 0 N-CA-C 112.166 0.432 . . . . 55.01 112.166 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.86 -52.08 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.247 0.619 . . . . 75.23 111.653 173.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -63.08 -46.91 85.17 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.437 0.295 . . . . 73.44 111.681 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 47.5 t-20 -57.59 -47.99 80.63 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.511 0.724 . . . . 75.24 110.578 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.21 -40.02 92.4 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.178 0.991 . . . . 74.21 112.013 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.568 ' HA ' ' HE3' ' A' ' 19' ' ' MET . 93.1 m -71.6 -31.66 67.17 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.026 0.53 . . . . 75.25 112.209 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -67.82 -37.31 81.8 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.463 0.305 . . . . 74.43 110.427 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 20.2 mm-40 -62.62 -33.54 75.22 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.152 -0.476 . . . . 72.13 111.344 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.568 ' HE3' ' HA ' ' A' ' 16' ' ' CYS . 50.7 mtm -75.04 -34.94 61.92 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 123.101 0.56 . . . . 61.01 111.998 174.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.14 -41.08 95.13 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.657 0.783 . . . . 72.02 111.179 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -66.23 -42.01 89.24 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.752 0.821 . . . . 64.04 109.801 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -29.11 69.24 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.333 1.053 . . . . 65.1 112.6 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB3' HG22 ' A' ' 67' ' ' ILE . . . -69.1 -30.5 68.81 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.25 0.62 . . . . 64.24 111.89 173.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.0 mt -86.7 -26.58 24.19 Favored 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 123.938 0.895 . . . . 74.22 112.381 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -111.19 29.48 7.76 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 124.667 1.187 . . . . 74.44 109.738 175.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 t -57.68 -33.66 68.59 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.923 0.889 . . . . 74.32 112.174 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -127.98 -88.99 0.54 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 107.802 -1.184 . . . . 64.04 107.802 158.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -147.68 35.58 0.86 Allowed 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.344 1.058 . . . . 73.44 109.869 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.74 -38.76 76.94 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.015 -0.993 . . . . 74.41 112.572 -170.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -70.41 -24.82 62.99 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 111.863 0.32 . . . . 71.12 111.863 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.0 t -73.81 -33.14 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 124.147 0.979 . . . . 72.31 110.604 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.05 -31.53 61.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.137 0.975 . . . . 75.14 112.849 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.5 HG23 ' HA ' ' A' ' 84' ' ' CYS . 4.5 mp -100.74 -40.5 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 123.28 0.632 . . . . 75.51 110.208 175.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.73 18.89 11.74 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-N 115.802 -0.635 . . . . 73.21 113.826 -177.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HB3' HD11 ' A' ' 40' ' ' LEU . . . -91.31 134.97 34.14 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.378 0.671 . . . . 64.22 111.309 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.563 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 11.4 m-20 -76.56 106.98 8.52 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.179 0.592 . . . . 75.35 111.357 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 p -64.41 -23.63 67.35 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.338 1.236 . . . . 74.02 114.338 -171.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.89 -40.24 63.34 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 113.212 0.819 . . . . 61.35 113.212 -177.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.563 ' HE ' ' HB2' ' A' ' 36' ' ' ASP . 30.2 ptt180 -74.83 -28.99 60.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.932 -0.48 . . . . 75.12 110.855 175.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 35' ' ' ALA . 86.2 mt -67.26 -53.39 30.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.828 0.451 . . . . 74.31 110.932 175.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.8 p -54.39 -38.19 65.89 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.123 0.969 . . . . 72.33 112.346 -176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.04 93.03 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 123.971 0.908 . . . . 61.22 112.009 175.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -70.4 -42.72 71.28 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.778 0.831 . . . . 71.31 111.989 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -59.61 -45.17 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.239 0.615 . . . . 73.41 110.154 172.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.59 -42.76 98.24 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.394 0.678 . . . . 74.32 112.08 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.59 -43.8 72.45 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.516 0.726 . . . . 65.22 112.233 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.8 m -73.84 -35.93 64.84 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.642 -0.708 . . . . 65.44 112.581 -175.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.4 tt -80.42 -26.67 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 O-C-N 122.142 -0.349 . . . . 73.42 111.083 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.89 -25.23 64.92 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 124.883 1.273 . . . . 74.43 113.025 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -51.09 -55.33 18.21 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.517 1.127 . . . . 74.33 112.316 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.94 -52.43 4.86 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.609 0.719 . . . . 72.05 111.608 172.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 59' ' ' TYR . 71.2 t -70.39 -32.71 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 114.799 -1.091 . . . . 74.31 113.802 -166.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.83 30.43 1.07 Allowed Glycine 0 N--CA 1.483 1.79 0 N-CA-C 117.089 1.596 . . . . 62.03 117.089 -169.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.56 5.62 27.0 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.274 1.03 . . . . 75.32 112.961 175.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 49.4 p 67.09 -57.33 0.42 Allowed 'General case' 0 N--CA 1.507 2.401 0 C-N-CA 126.8 2.04 . . . . 74.42 113.857 -177.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.61 129.83 43.88 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 124.304 1.041 . . . . 75.31 112.912 177.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.3 tmm? 58.11 -79.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 125.903 1.681 . . . . 72.53 114.08 172.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -59.98 -38.93 84.0 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.91 0.884 . . . . 73.11 113.097 -171.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 34.3 t80 -70.74 -31.59 68.46 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.671 0.388 . . . . 75.24 111.672 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.474 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 9.4 mmpt? -72.69 -52.46 15.12 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 122.282 -0.261 . . . . 74.13 111.54 172.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.46 HD21 ' N ' ' A' ' 61' ' ' ASN . 0.7 OUTLIER -77.41 -51.27 11.07 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.911 0.884 . . . . 74.25 112.854 -169.164 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -76.8 -27.57 55.28 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 112.568 0.581 . . . . 73.33 112.568 -173.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.2 t -72.14 -48.03 51.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 118.829 -0.605 . . . . 73.41 110.93 174.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -62.45 -35.1 78.21 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-N 118.454 0.57 . . . . 73.34 111.013 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -63.78 -44.4 93.48 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.452 0.701 . . . . 70.3 111.428 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.564 ' HG3' ' SD ' ' A' ' 100' ' ' MET . 17.8 ttm-85 -67.45 -44.24 79.13 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.759 0.423 . . . . 75.11 110.958 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.515 HG22 ' HB3' ' A' ' 23' ' ' ALA . 98.3 mt -55.48 -37.42 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 124.423 1.089 . . . . 74.3 111.488 171.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.7 t -64.24 -45.32 88.69 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.214 0.605 . . . . 75.05 111.434 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -66.83 -28.83 68.67 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 122.899 0.48 . . . . 70.41 112.058 175.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.486 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 94.0 mt -72.36 -48.85 38.47 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 122.738 0.415 . . . . 72.4 111.361 176.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.434 ' HE3' HG23 ' A' ' 67' ' ' ILE . 18.6 ptpt -82.34 4.13 25.1 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 122.796 0.438 . . . . 74.04 112.085 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -70.34 128.58 36.69 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.574 0.75 . . . . 73.52 111.559 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.44 -24.19 60.21 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.37 0.668 . . . . 62.11 112.047 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -74.77 -33.84 62.35 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 122.515 0.326 . . . . 74.22 110.915 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -113.87 81.15 5.69 Favored Pre-proline 0 N--CA 1.49 1.559 0 C-N-CA 123.377 0.671 . . . . 75.43 111.196 172.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.36 -25.74 4.53 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.082 1.855 . . . . 74.22 111.977 167.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.79 -37.68 79.45 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.258 1.023 . . . . 54.3 111.738 -174.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 58.6 tp -53.81 -56.58 16.28 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.432 0.693 . . . . 74.41 111.985 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' A' ' 70' ' ' LEU . 27.9 ptt-85 -71.79 -32.64 67.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.702 0.401 . . . . 72.3 111.33 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.467 ' HD2' HD12 ' A' ' 33' ' ' ILE . 8.6 tpt180 -58.23 -44.73 88.37 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.553 0.741 . . . . 72.01 111.127 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -65.82 -38.43 88.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.625 0.77 . . . . 72.2 111.922 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.1 t -64.27 -46.62 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-O 121.581 0.705 . . . . 73.21 110.936 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.06 -24.64 61.55 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.45 1.1 . . . . 74.13 112.098 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.5 ' HA ' HG23 ' A' ' 33' ' ' ILE . 42.9 t -87.33 -13.91 42.26 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.921 0.888 . . . . 72.45 111.55 176.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.32 -4.14 82.45 Favored Glycine 0 CA--C 1.536 1.382 0 CA-C-O 119.608 -0.551 . . . . 74.21 114.29 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.24 81.45 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.58 0.752 . . . . 72.03 111.373 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 73.9 mt -89.16 130.95 37.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 108.934 -0.765 . . . . 74.44 108.934 165.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.4 p -80.46 154.67 74.1 Favored Pre-proline 0 N--CA 1.487 1.376 0 C-N-CA 123.049 0.54 . . . . 74.23 111.238 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -47.46 -39.85 28.94 Favored 'Trans proline' 0 C--N 1.384 2.427 0 C-N-CA 123.671 2.914 . . . . 75.34 115.339 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -77.07 -39.46 49.67 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.35 0.5 . . . . 65.52 112.35 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 95' ' ' MET . 61.3 tt0 -57.21 -51.42 69.42 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.645 0.778 . . . . 71.52 112.062 -174.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.4 tp -61.8 -37.95 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 123.348 0.659 . . . . 75.3 112.438 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.42 -39.72 62.43 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.502 0.721 . . . . 71.3 112.942 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.3 m -85.02 -8.3 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 123.67 0.788 . . . . 74.13 112.032 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.439 ' HB2' ' O ' ' A' ' 91' ' ' GLN . 39.9 ttp -72.85 150.18 42.89 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.58 0.752 . . . . 71.1 112.725 -169.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.9 m -62.22 147.96 46.23 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.305 1.042 . . . . 62.12 111.782 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.556 ' HA ' ' HE1' ' A' ' 100' ' ' MET . 26.1 t -59.46 -41.44 89.72 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.914 0.886 . . . . 45.43 111.887 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -55.76 -42.11 74.97 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.725 0.81 . . . . 63.42 111.717 174.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.86 -25.35 61.92 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.075 -0.511 . . . . 74.41 112.375 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.564 ' SD ' ' HG3' ' A' ' 66' ' ' ARG . 52.1 mtm . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.106 0.479 . . . . 70.13 110.919 173.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.964 0 CA-C-O 120.553 0.216 . . . . 73.42 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.0 t -70.49 -63.67 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.14 0.576 . . . . 71.52 110.693 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -74.68 -44.42 50.26 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 115.764 -0.653 . . . . 64.51 112.589 -175.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -62.73 -39.86 95.39 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 112.084 0.402 . . . . 72.24 112.084 -173.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.83 -33.96 76.76 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.022 -0.535 . . . . 74.34 111.126 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 71.5 m -61.67 -41.96 98.27 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.832 0.453 . . . . 74.34 111.574 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -58.65 -49.0 79.13 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.32 0.648 . . . . 73.44 110.624 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.68 -25.92 67.55 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.195 0.813 . . . . 72.44 113.195 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.1 mtm -75.54 -34.46 60.75 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 123.236 0.615 . . . . 74.24 112.128 171.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 91.7 mt -69.35 -34.44 74.61 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.061 0.458 . . . . 75.54 110.422 173.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -66.45 -43.71 84.81 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.857 0.863 . . . . 72.34 109.649 171.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.38 70.31 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.377 1.071 . . . . 75.03 112.323 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -60.62 -42.61 97.2 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.625 0.726 . . . . 71.31 111.563 171.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 76.0 mt -82.28 -19.26 39.85 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 114.969 -1.014 . . . . 73.41 112.856 -175.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -122.48 20.61 10.35 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 123.519 0.728 . . . . 65.32 111.57 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.413 HG23 ' HB2' ' A' ' 71' ' ' LYS . 13.7 t -59.46 -30.62 68.64 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 123.571 0.748 . . . . 73.45 112.161 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -111.07 -89.17 0.5 Allowed 'General case' 0 CA--C 1.557 1.245 0 N-CA-C 107.708 -1.219 . . . . 63.42 107.708 166.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -165.93 40.55 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.222 1.809 . . . . 75.14 107.632 168.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.93 -56.0 26.27 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.692 0.797 . . . . 74.31 112.516 -166.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.651 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 20.2 m-70 -76.82 -24.21 52.77 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 112.62 0.6 . . . . 75.24 112.62 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.68 -32.9 57.15 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 0 C-N-CA 124.385 1.074 . . . . 75.51 111.632 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.67 -48.08 66.75 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.55 1.14 . . . . 71.53 113.048 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.619 HD13 HD21 ' A' ' 83' ' ' LEU . 58.9 mt -91.77 -13.84 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.508 0.723 . . . . 71.14 111.139 178.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.58 22.25 34.68 Favored Glycine 0 N--CA 1.48 1.583 0 O-C-N 122.042 -0.411 . . . . 74.43 113.674 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.52 113.33 21.15 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.51 0.724 . . . . 74.25 110.342 175.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.38 107.58 0.51 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.196 0.599 . . . . 73.53 111.688 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 30' ' ' HIS . 57.0 m -56.69 -34.56 67.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.943 0.897 . . . . 74.21 112.107 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.7 -45.04 88.28 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.627 1.171 . . . . 74.34 113.666 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -69.13 -30.77 69.09 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 120.963 0.411 . . . . 75.35 111.194 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.19 -55.79 12.64 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.595 0.758 . . . . 72.34 109.439 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -59.04 -30.15 67.81 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.415 1.486 . . . . 74.21 113.447 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.37 93.62 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.259 0.624 . . . . 75.44 111.188 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 97.3 mt-30 -76.74 -34.74 58.06 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.826 -0.625 . . . . 63.53 112.016 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.0 -45.01 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 122.863 0.465 . . . . 63.31 109.887 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.89 -54.0 52.09 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.823 0.849 . . . . 74.34 111.492 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 71.4 mm-40 -55.49 -47.34 76.32 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 112.765 0.654 . . . . 73.43 112.765 -177.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.521 ' SG ' ' HG2' ' A' ' 90' ' ' GLN . 64.0 m -67.69 -40.16 84.37 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.457 0.703 . . . . 75.51 112.587 -175.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 62' ' ' ARG . 14.4 tt -76.34 -25.38 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 120.683 0.277 . . . . 73.35 110.789 174.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.621 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 24.1 t80 -71.89 -35.89 69.88 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.499 0.72 . . . . 73.02 111.452 -177.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 15.9 mmp_? -58.18 -51.77 68.33 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.263 0.625 . . . . 74.52 111.691 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -85.63 -55.78 3.82 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.471 0.709 . . . . 73.53 112.103 -174.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.539 HG13 ' HA ' ' A' ' 59' ' ' TYR . 21.4 t -96.12 -38.29 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 123.275 0.63 . . . . 75.35 111.982 -172.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.621 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -79.57 32.78 2.1 Favored Glycine 0 C--N 1.342 0.915 0 N-CA-C 116.381 1.312 . . . . 71.12 116.381 -168.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -76.84 38.9 0.21 Allowed 'General case' 0 CA--C 1.573 1.841 0 CA-C-N 117.681 0.741 . . . . 73.02 111.898 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.3 p 38.16 72.01 0.14 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 125.755 1.622 . . . . 75.55 112.648 -172.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -139.91 171.92 13.51 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.348 -0.842 . . . . 74.24 110.481 -172.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -55.31 -44.12 75.49 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 113.399 0.889 . . . . 74.22 113.399 -175.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -29.63 67.17 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 112.801 0.667 . . . . 64.24 112.801 -177.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.539 ' HA ' HG13 ' A' ' 52' ' ' VAL . 8.3 t80 -54.03 -36.78 63.39 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 124.424 1.09 . . . . 75.11 113.78 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -64.49 -54.66 28.9 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 111.875 0.324 . . . . 74.31 111.875 -178.248 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -70.96 -29.02 64.91 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.892 0.477 . . . . 75.11 112.026 -175.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.453 ' HB3' HD13 ' A' ' 48' ' ' ILE . 10.3 mpt_? -69.01 -40.29 78.77 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.552 0.341 . . . . 75.11 111.251 176.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 67' ' ' ILE . 54.1 t -64.14 -47.75 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 O-C-N 123.183 0.302 . . . . 75.34 110.379 171.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.584 ' HA ' HD11 ' A' ' 67' ' ' ILE . 68.9 mtp180 -65.65 -30.68 71.41 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.267 0.627 . . . . 74.43 112.634 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.1 t -74.79 -39.94 61.43 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.058 0.543 . . . . 65.13 110.225 174.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.423 ' NH1' ' SD ' ' A' ' 100' ' ' MET . 5.3 tpm_? -57.76 -42.33 83.8 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.515 0.726 . . . . 72.33 110.565 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.584 HD11 ' HA ' ' A' ' 64' ' ' ARG . 62.6 mt -61.62 -54.69 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.975 0.91 . . . . 75.22 110.528 173.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 t -52.62 -43.19 65.23 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 125.101 1.36 . . . . 72.31 113.046 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -75.06 -27.63 60.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.677 0.791 . . . . 74.44 112.283 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.531 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 79.2 mt -83.59 -10.95 57.91 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.019 0.528 . . . . 73.24 111.996 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HB2' HG23 ' A' ' 26' ' ' THR . 14.3 ptmm? -121.95 7.57 9.84 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.426 0.691 . . . . 75.0 111.896 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.38 134.72 49.37 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 112.64 0.607 . . . . 73.11 112.64 -170.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.02 -39.1 56.42 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.879 0.872 . . . . 65.32 111.616 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -71.71 -30.98 66.25 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.04 0.536 . . . . 75.51 111.276 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -124.33 78.61 60.99 Favored Pre-proline 0 CA--C 1.561 1.388 0 C-N-CA 123.746 0.818 . . . . 73.43 110.073 174.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -88.04 -3.98 7.01 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 123.257 2.638 . . . . 73.12 112.697 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.5 -43.42 98.87 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.685 0.794 . . . . 64.2 110.303 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.51 HD22 ' HB3' ' A' ' 100' ' ' MET . 47.4 tp -57.72 -41.88 82.69 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.759 0.824 . . . . 73.13 112.382 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 17.1 mtp180 -52.85 -49.58 65.49 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.743 0.817 . . . . 73.2 110.946 175.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -66.26 -39.76 89.67 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 125.137 1.375 . . . . 75.03 112.815 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.573 ' HB3' HD11 ' A' ' 87' ' ' ILE . 6.5 m-20 -69.81 -36.86 76.01 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.814 0.846 . . . . 74.42 112.095 -176.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.6 t -83.22 -24.05 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 C-N-CA 123.228 0.611 . . . . 73.14 110.628 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.619 HD21 HD13 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -59.03 -55.37 36.03 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.425 1.09 . . . . 64.33 111.222 177.373 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 28.8 p -80.88 -6.36 58.53 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.396 -0.82 . . . . 75.24 112.036 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.33 29.21 50.66 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 114.245 0.458 . . . . 70.12 114.245 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.89 -40.9 78.93 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.005 0.522 . . . . 74.53 110.951 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' A' ' 81' ' ' ASN . 2.3 mp -100.75 133.14 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.852 0.861 . . . . 73.11 108.95 171.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.4 p -78.41 148.4 73.8 Favored Pre-proline 0 N--CA 1.487 1.412 0 C-N-CA 122.581 0.352 . . . . 74.32 111.044 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.421 ' HB2' ' HB2' ' A' ' 43' ' ' GLN . 71.5 Cg_exo -55.05 -20.73 24.55 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 123.411 2.74 . . . . 75.1 115.123 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.521 ' HG2' ' SG ' ' A' ' 47' ' ' CYS . 22.6 tm0? -74.09 -47.92 33.23 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.48 0.312 . . . . 70.12 110.288 174.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -62.25 -49.18 76.72 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 115.989 -0.551 . . . . 72.51 111.644 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.434 HD11 HD13 ' A' ' 78' ' ' LEU . 8.7 tp -57.84 -29.3 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.501 0 N-CA-C 112.764 0.654 . . . . 72.32 112.764 -175.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.72 -32.89 73.01 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.361 0.664 . . . . 74.11 112.258 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.6 m -106.47 -7.16 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 113.398 0.888 . . . . 73.12 113.398 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 88.5 mtp -73.93 132.2 42.21 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 112.409 0.522 . . . . 71.43 112.409 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.478 ' HB ' ' HG2' ' A' ' 99' ' ' GLU . 16.6 m -70.39 161.8 29.81 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.861 1.264 . . . . 72.51 110.996 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.6 p -50.04 -45.23 52.01 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.401 1.081 . . . . 72.1 113.278 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.48 -32.55 71.51 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.379 0.671 . . . . 65.22 112.64 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.478 ' HG2' ' HB ' ' A' ' 96' ' ' THR . 9.6 mm-40 -68.37 -38.71 81.65 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.77 0.795 . . . . 74.22 110.387 177.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.51 ' HB3' HD22 ' A' ' 78' ' ' LEU . 74.4 mtm . . . . . 0 N--CA 1.479 0.977 0 CA-C-N 114.716 -1.129 . . . . 70.44 112.769 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 110.321 -0.252 . . . . 73.34 110.321 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -75.34 -41.56 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 113.458 0.91 . . . . 71.24 113.458 -162.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -51.27 70.27 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.849 -0.426 . . . . 71.54 109.849 172.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.55 -32.96 70.82 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.305 1.042 . . . . 72.32 112.019 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -73.52 -33.06 64.58 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.336 0.655 . . . . 73.35 111.155 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.1 m -71.82 -39.46 69.77 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.349 -0.387 . . . . 75.14 110.614 173.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -62.13 -46.92 86.86 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.98 0.512 . . . . 74.45 111.54 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.81 -35.45 74.71 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 112.145 0.424 . . . . 70.15 112.145 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.8 mtm -74.64 -44.04 52.42 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.145 0.578 . . . . 72.45 112.302 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.54 -48.69 79.87 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.495 0.718 . . . . 53.5 110.976 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.452 HG21 ' SG ' ' A' ' 37' ' ' CYS . 85.7 m -61.11 -36.87 80.86 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.821 1.248 . . . . 73.41 111.817 176.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -30.96 70.92 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.053 0.541 . . . . 71.45 112.16 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.608 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -68.91 -37.06 78.71 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.693 0.397 . . . . 72.31 110.843 170.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD23 ' HG2' ' A' ' 79' ' ' ARG . 73.3 mt -73.85 -7.68 53.17 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 123.677 0.791 . . . . 62.32 112.022 173.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.473 ' HG2' ' CD2' ' A' ' 30' ' ' HIS . 43.1 mt-30 -120.58 23.5 10.77 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.838 1.255 . . . . 73.11 111.149 173.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.1 t -58.84 -30.11 67.43 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.573 0.583 . . . . 74.24 112.573 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -133.59 34.95 3.42 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.011 0.924 . . . . 64.35 109.27 170.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.6 m170 58.32 33.36 23.06 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.908 1.283 . . . . 74.24 111.7 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.92 -45.46 90.3 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.764 1.225 . . . . 74.41 113.208 -163.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.473 ' CD2' ' HG2' ' A' ' 25' ' ' GLN . 2.8 p80 -58.96 -23.49 61.63 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 123.946 0.898 . . . . 74.22 113.203 -176.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.28 -54.43 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.317 0.647 . . . . 74.41 110.594 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.64 69.48 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.554 0.742 . . . . 72.15 112.097 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.0 mt -79.44 -32.05 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 C-N-CA 123.432 0.693 . . . . 75.03 111.493 175.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.5 50.68 5.58 Favored Glycine 0 CA--C 1.535 1.343 0 N-CA-C 113.834 0.294 . . . . 52.23 113.834 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 30' ' ' HIS . . . -135.87 137.1 41.13 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.658 0.783 . . . . 72.24 110.316 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.95 97.83 2.9 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.232 0.539 . . . . 61.33 110.853 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' SG ' HG21 ' A' ' 21' ' ' THR . 13.0 p -63.69 -33.42 75.61 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.181 0.992 . . . . 72.22 112.181 -178.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.36 -35.29 80.52 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.68 0.792 . . . . 73.21 112.002 174.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -70.55 -43.61 69.16 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.746 0.818 . . . . 73.55 109.68 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.486 HD12 HD22 ' A' ' 83' ' ' LEU . 74.3 mt -62.87 -45.06 94.32 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.865 -0.607 . . . . 71.42 110.728 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 29.9 t -64.59 -30.63 71.66 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.83 0.852 . . . . 73.25 112.027 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.77 94.39 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.185 0.594 . . . . 65.52 111.805 174.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -73.46 -33.17 64.74 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 115.725 -0.671 . . . . 73.41 110.958 175.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.48 -39.8 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.908 0.883 . . . . 70.01 111.294 174.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 41' ' ' SER . 46.7 mt-10 -52.67 -49.96 64.22 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.6 0.76 . . . . 75.4 112.407 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -33.31 65.4 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.71 0.404 . . . . 70.43 111.77 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.0 m -70.45 -34.47 72.48 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.425 0.69 . . . . 74.12 112.689 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' A' ' 52' ' ' VAL . 14.9 tt -83.37 -30.38 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 N-CA-C 109.626 -0.509 . . . . 75.43 109.626 175.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -57.94 -25.56 61.1 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.55 1.14 . . . . 74.52 113.002 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -55.41 -68.04 0.23 Allowed 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.046 0.938 . . . . 74.24 112.301 -177.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.87 -32.8 15.89 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.126 0.57 . . . . 71.14 112.135 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.633 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 94.2 t -94.83 -23.31 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 113.537 0.94 . . . . 72.33 113.537 -168.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.04 29.53 1.11 Allowed Glycine 0 CA--C 1.545 1.932 0 N-CA-C 116.467 1.347 . . . . 63.23 116.467 -171.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -74.76 -15.95 60.75 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.857 0.863 . . . . 74.23 112.407 175.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.3 p 55.43 34.14 22.36 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 125.601 1.561 . . . . 74.11 113.261 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -103.52 -53.56 2.76 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 123.757 0.823 . . . . 71.15 112.023 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 42.4 ttm -163.96 -41.14 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.302 1.041 . . . . 74.41 110.539 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.633 ' HD2' ' HA ' ' A' ' 52' ' ' VAL . 38.6 ttmt -53.69 -43.1 68.67 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.292 0.637 . . . . 74.32 110.874 176.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.478 ' HA ' HG13 ' A' ' 52' ' ' VAL . 51.3 t80 -62.39 -33.71 75.29 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.19 0.996 . . . . 71.43 112.946 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 34.7 mmtp -72.71 -55.21 7.13 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 122.4 0.28 . . . . 73.52 111.473 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -70.19 -43.28 71.07 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.648 0.779 . . . . 72.14 111.936 -171.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -57.97 -46.07 85.73 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.471 0.708 . . . . 74.02 112.25 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.09 -45.58 98.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 C-N-CA 123.085 0.554 . . . . 73.03 111.076 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 9.6 mmm180 -57.32 -48.8 78.02 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.386 0.674 . . . . 75.34 112.291 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 t -67.55 -40.22 84.99 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.402 0.681 . . . . 74.24 111.83 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -47.7 74.28 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.594 0.757 . . . . 74.5 111.571 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.608 HG23 ' HB2' ' A' ' 23' ' ' ALA . 94.3 mt -57.28 -41.92 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 123.753 0.821 . . . . 73.31 111.087 173.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 t -60.77 -41.13 94.92 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 115.58 -0.736 . . . . 74.22 111.888 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -71.34 -29.92 65.56 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.45 0.7 . . . . 70.25 112.418 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.26 -31.37 72.55 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.982 0.513 . . . . 72.3 112.054 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -107.75 0.06 22.05 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.763 0.825 . . . . 73.11 112.052 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.18 146.64 31.67 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.074 0.55 . . . . 74.02 111.974 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.51 -16.91 61.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.402 0.89 . . . . 73.13 113.402 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -75.76 -25.79 56.82 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 117.869 0.304 . . . . 74.14 111.397 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -152.83 68.88 6.94 Favored Pre-proline 0 CA--C 1.568 1.668 0 C-N-CA 123.355 0.662 . . . . 75.45 112.063 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.97 -20.96 11.26 Favored 'Trans proline' 0 C--N 1.383 2.352 0 C-N-CA 122.549 2.166 . . . . 75.45 112.608 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.29 -17.86 61.84 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.794 0.838 . . . . 70.24 111.702 175.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.0 tp -53.96 -53.77 48.24 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.954 0.902 . . . . 72.25 111.345 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.585 ' HG2' HD23 ' A' ' 24' ' ' LEU . 1.8 tmm_? -61.58 -42.56 99.03 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.531 1.132 . . . . 73.35 112.106 176.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -61.73 -45.95 91.72 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.563 0.745 . . . . 73.31 111.559 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -65.48 -32.52 74.17 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.179 0.992 . . . . 74.42 112.754 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.85 -44.87 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-O 121.137 0.494 . . . . 72.41 110.508 174.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.486 HD22 HD12 ' A' ' 40' ' ' LEU . 76.3 mt -70.29 -32.01 69.6 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 115.276 -0.875 . . . . 75.34 111.829 177.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.9 m -81.22 -9.06 59.85 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.648 0.779 . . . . 71.51 112.137 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.8 -1.65 88.48 Favored Glycine 0 CA--C 1.539 1.577 0 N-CA-C 114.256 0.462 . . . . 64.31 114.256 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.47 -30.71 70.49 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.777 0.831 . . . . 71.21 111.694 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 68.5 mt -117.34 127.19 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.169 0.987 . . . . 72.25 108.56 169.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.3 p -75.41 151.82 85.48 Favored Pre-proline 0 N--CA 1.492 1.668 0 CA-C-O 119.547 -0.263 . . . . 74.51 110.938 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -49.41 -31.08 22.29 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 123.342 2.695 . . . . 64.53 114.522 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -74.18 -46.61 41.09 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 119.483 -0.294 . . . . 71.31 111.413 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -54.55 -55.16 32.09 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.278 0.631 . . . . 73.51 111.649 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.2 tp -63.38 -29.83 48.24 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.576 0 N-CA-C 112.746 0.647 . . . . 73.43 112.746 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.95 34.53 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 112.503 0.557 . . . . 75.45 112.503 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.4 m -83.6 -25.41 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 C-N-CA 123.293 0.637 . . . . 74.51 112.189 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 48.4 ttp -67.12 126.11 28.14 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.402 0.681 . . . . 70.13 111.663 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -84.29 170.18 13.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.903 0.481 . . . . 75.33 110.916 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -62.02 -30.64 71.1 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.743 0.817 . . . . 75.14 112.908 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.42 -52.01 67.4 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.09 0.556 . . . . 75.23 111.624 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.57 -43.4 80.71 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.723 0.809 . . . . 74.11 110.783 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 CA--C 1.558 1.282 0 CA-C-N 114.253 -1.34 . . . . 74.41 112.257 -176.227 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 113.036 0.754 . . . . 70.32 113.036 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.04 -49.32 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 113.778 1.029 . . . . 74.53 113.778 -169.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -43.05 67.05 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 122.798 0.439 . . . . 75.34 111.05 -178.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -61.58 -32.54 72.65 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.858 0.463 . . . . 73.53 111.196 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.04 -51.64 63.2 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.871 0.868 . . . . 74.31 110.999 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -60.31 -39.8 88.25 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.347 0.659 . . . . 74.4 111.301 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -63.13 -45.69 90.78 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.475 1.11 . . . . 72.13 111.705 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -64.19 -40.15 95.5 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.845 0.858 . . . . 74.24 111.898 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.445 ' HB3' HD11 ' A' ' 67' ' ' ILE . 59.5 mtm -74.31 -42.01 60.2 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 122.92 0.488 . . . . 75.42 111.977 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.57 -41.91 98.08 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 122.813 0.445 . . . . 75.11 110.791 174.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 93.0 m -62.54 -40.46 96.88 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.262 0.625 . . . . 62.51 111.054 173.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.59 71.95 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.657 0.783 . . . . 75.22 112.137 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.71 ' HB3' HG22 ' A' ' 67' ' ' ILE . . . -61.06 -45.32 95.24 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.927 0.491 . . . . 72.33 110.547 170.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.455 HD21 ' HG3' ' A' ' 79' ' ' ARG . 42.8 mt -75.24 -18.44 60.1 Favored 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 123.954 0.902 . . . . 73.21 112.28 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.536 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 27.5 mm-40 -86.89 -16.21 36.69 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.073 0.949 . . . . 73.11 113.042 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 23' ' ' ALA . 15.0 t -57.92 -33.18 68.51 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.679 0.622 . . . . 75.13 112.679 -173.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -132.47 157.31 44.95 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.856 0.862 . . . . 73.44 109.732 169.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -87.82 37.41 0.8 Allowed 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 112.843 0.683 . . . . 74.31 112.843 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.89 -40.29 92.5 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 120.964 0.412 . . . . 75.55 110.722 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -60.2 -32.21 70.89 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 115.446 -0.797 . . . . 74.22 112.474 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -74.33 -45.96 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 123.236 0.614 . . . . 74.13 110.61 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.4 94.08 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.243 1.017 . . . . 62.32 112.517 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.51 HG23 ' HA ' ' A' ' 84' ' ' CYS . 81.4 mt -80.55 -34.42 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 C-N-CA 123.925 0.89 . . . . 73.01 110.947 177.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.92 31.02 9.58 Favored Glycine 0 N--CA 1.476 1.339 0 CA-C-N 116.548 -0.296 . . . . 74.4 113.613 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 134.92 54.18 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.777 0.831 . . . . 73.05 111.043 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -76.27 99.88 4.92 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.264 0.554 . . . . 65.12 109.923 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.536 ' SG ' ' NE2' ' A' ' 25' ' ' GLN . 24.5 p -65.49 -23.7 66.97 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.596 0.758 . . . . 74.23 112.987 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.3 -40.72 74.07 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.335 0.654 . . . . 75.54 112.198 -171.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.34 -29.06 42.1 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 117.469 0.122 . . . . 75.33 110.731 176.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 44' ' ' ILE . 95.0 mt -59.07 -41.03 86.99 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.253 0.621 . . . . 64.44 110.953 173.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.7 t -60.58 -42.8 97.43 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.615 1.166 . . . . 73.05 112.461 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.88 -32.15 73.5 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.08 0.552 . . . . 71.42 111.484 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -73.31 -31.84 64.26 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.528 0.731 . . . . 73.31 112.024 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 40' ' ' LEU . 78.4 mt -63.46 -40.7 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 109.246 -0.65 . . . . 65.22 109.246 169.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' HA ' HG23 ' A' ' 48' ' ' ILE . 34.6 tt0 -61.96 -39.63 92.78 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.869 -0.605 . . . . 72.25 111.509 176.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -51.52 -42.97 62.14 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.077 0.551 . . . . 73.43 111.648 175.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.8 -50.38 12.45 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.507 -0.769 . . . . 71.22 112.665 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.491 HG23 ' HA ' ' A' ' 45' ' ' GLU . 13.8 tt -77.52 -26.58 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 123.008 0.523 . . . . 72.54 112.39 -170.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -68.93 -26.65 65.18 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.42 0.688 . . . . 74.32 111.635 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -65.18 -43.97 89.98 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 120.832 0.349 . . . . 75.53 110.973 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -85.71 -54.54 4.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.801 0.84 . . . . 72.22 112.144 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.489 HG12 ' HD3' ' A' ' 58' ' ' LYS . 2.5 t -99.56 -14.42 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 124.221 1.008 . . . . 73.33 112.672 -169.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.1 27.79 1.43 Allowed Glycine 0 N--CA 1.48 1.629 0 N-CA-C 116.555 1.382 . . . . 63.32 116.555 -169.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -78.54 5.94 9.75 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 124.353 1.061 . . . . 74.51 112.224 170.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.2 p 66.54 13.74 9.42 Favored 'General case' 0 N--CA 1.503 2.184 0 C-N-CA 126.209 1.804 . . . . 64.01 114.23 171.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -70.67 170.86 11.44 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.436 0.694 . . . . 64.23 110.436 172.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.9 mmt -57.18 -25.96 59.85 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.587 0.755 . . . . 74.43 112.496 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.489 ' HD3' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -59.11 -36.75 75.71 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.429 0.692 . . . . 73.24 112.003 172.489 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -70.99 -37.4 72.7 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.705 0.802 . . . . 74.43 111.559 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -40.13 62.91 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 122.912 0.485 . . . . 74.41 111.323 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -74.28 -50.81 17.35 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.96 0.904 . . . . 74.11 112.493 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -64.72 -34.86 79.32 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.026 0.531 . . . . 74.25 111.789 -175.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.7 t -67.43 -55.07 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 C-N-CA 122.916 0.486 . . . . 65.35 110.925 174.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.638 ' HA ' HD12 ' A' ' 67' ' ' ILE . 7.5 ptp180 -63.75 -33.23 75.19 Favored 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 112.836 0.68 . . . . 74.22 112.836 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.7 t -67.4 -36.57 81.55 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.356 0.662 . . . . 73.2 111.102 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -73.59 -36.21 65.51 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.031 -0.986 . . . . 73.14 110.962 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.71 HG22 ' HB3' ' A' ' 23' ' ' ALA . 83.9 mt -60.24 -45.12 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 125.06 1.344 . . . . 73.54 111.358 171.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.6 t -60.03 -40.62 89.97 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.453 -0.794 . . . . 54.54 110.663 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.78 -36.54 84.65 Favored 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.842 1.257 . . . . 74.44 112.688 175.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.38 -38.83 88.42 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.192 0.597 . . . . 75.55 112.01 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -98.05 8.38 44.86 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.491 0.716 . . . . 74.23 112.129 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -69.19 150.99 46.88 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.509 0.723 . . . . 72.45 112.134 -172.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.7 -24.82 56.28 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.622 0.769 . . . . 74.34 113.008 -175.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -69.73 -42.3 74.14 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.885 0.474 . . . . 75.1 111.465 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -155.38 89.91 2.96 Favored Pre-proline 0 CA--C 1.561 1.376 0 C-N-CA 122.638 0.375 . . . . 74.22 111.549 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -86.45 -7.16 7.83 Favored 'Trans proline' 0 CA--C 1.561 1.842 0 C-N-CA 123.05 2.5 . . . . 73.24 112.636 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.93 -22.15 59.78 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.153 0.981 . . . . 72.53 111.387 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 tp -51.46 -51.67 53.01 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.818 1.247 . . . . 75.34 111.17 168.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.455 ' HG3' HD21 ' A' ' 24' ' ' LEU . 36.0 ttp85 -60.47 -41.91 95.14 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.011 -1.45 . . . . 75.22 111.753 177.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -65.57 -32.93 74.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.939 0.496 . . . . 75.44 111.784 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -65.4 -35.43 80.92 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.935 0.494 . . . . 70.41 111.198 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.51 -42.06 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 123.034 0.534 . . . . 73.31 110.415 173.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.6 mt -70.19 -23.11 62.9 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.098 0.959 . . . . 75.41 112.281 178.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.51 ' HA ' HG23 ' A' ' 33' ' ' ILE . 54.0 t -86.02 -13.29 47.94 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.729 0.811 . . . . 75.44 111.609 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.19 9.42 86.08 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-O 120.091 -0.283 . . . . 65.42 113.652 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.33 -43.93 66.06 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.751 0.82 . . . . 73.54 110.522 174.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 59.6 mt -103.56 125.85 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.66 0.784 . . . . 74.21 109.052 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.3 p -83.43 154.74 66.16 Favored Pre-proline 0 N--CA 1.486 1.351 0 C-N-CA 122.834 0.454 . . . . 73.41 110.831 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.12 -35.21 18.94 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 123.657 2.905 . . . . 75.44 115.457 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -33.2 57.91 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 112.184 0.438 . . . . 75.14 112.184 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 95' ' ' MET . 46.4 mt-30 -64.87 -57.27 9.27 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 122.538 0.335 . . . . 74.31 110.875 174.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.9 tp -60.92 -18.02 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 123.044 0.538 . . . . 75.51 112.355 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.11 -36.84 34.77 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 123.559 0.743 . . . . 64.52 112.536 174.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m -92.81 -15.48 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 113.38 0.882 . . . . 53.35 113.38 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 91' ' ' GLN . 92.9 mtp -64.78 138.54 58.44 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 122.966 0.506 . . . . 75.51 112.059 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.5 p -79.16 167.6 20.78 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.621 0.368 . . . . 64.24 110.68 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 50.0 m -59.47 -29.76 68.04 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 122.844 0.458 . . . . 61.05 111.263 174.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.06 -51.58 67.41 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.352 1.061 . . . . 71.12 110.48 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -68.22 -36.76 80.02 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.096 0.959 . . . . 74.04 112.889 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.8 mtm . . . . . 0 N--CA 1.481 1.08 0 C-N-CA 123.242 0.617 . . . . 73.51 111.703 -179.258 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 112.31 0.485 . . . . 75.34 112.31 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -49.33 -44.15 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 124.924 1.29 . . . . 75.1 113.465 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -54.86 13.18 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.749 0.42 . . . . 74.31 110.83 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.424 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 29.2 t-20 -61.98 -33.7 74.8 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 123.534 0.733 . . . . 75.31 111.954 -177.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.476 ' HG3' ' HE2' ' A' ' 19' ' ' MET . 52.0 tptt -60.28 -33.3 72.15 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.976 0.91 . . . . 75.44 111.306 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' A' ' 63' ' ' VAL . 62.8 m -62.7 -48.51 78.98 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.066 0.854 . . . . 75.44 111.354 175.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -54.88 -50.49 68.59 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.413 0.685 . . . . 74.31 110.471 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 17.1 mm-40 -61.89 -47.63 84.12 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 115.584 -0.735 . . . . 71.34 112.423 -175.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.563 ' SD ' HD12 ' A' ' 67' ' ' ILE . 23.2 ptp -72.33 -31.9 66.05 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.045 0.538 . . . . 73.1 112.222 -176.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 91.1 mt -68.48 -41.04 80.68 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.589 0.356 . . . . 75.21 110.665 173.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.2 m -59.67 -38.4 81.41 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.35 0.66 . . . . 64.21 111.236 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.23 97.93 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.343 0.657 . . . . 73.41 111.503 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HB3' HG22 ' A' ' 67' ' ' ILE . . . -66.7 -28.6 68.57 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.482 0.713 . . . . 71.41 111.997 174.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 20' ' ' LEU . 80.2 mt -83.92 -8.46 59.17 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.527 0.731 . . . . 72.41 112.731 177.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -118.43 17.29 13.8 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.733 0.813 . . . . 75.11 111.443 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 t -60.06 -49.38 77.9 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.581 0.956 . . . . 73.52 113.581 -172.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -130.38 28.98 4.91 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 122.908 0.483 . . . . 73.05 111.837 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.4 m80 58.61 26.99 15.13 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.771 0.828 . . . . 74.14 111.124 -174.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -57.1 -47.25 81.52 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.189 1.796 . . . . 64.51 112.514 -177.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -64.8 -33.37 75.82 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.445 0.698 . . . . 72.31 112.191 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.92 -39.94 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 C-N-CA 123.322 0.649 . . . . 75.22 110.871 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.97 70.93 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.106 0.962 . . . . 74.04 112.429 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.404 HD12 ' SG ' ' A' ' 84' ' ' CYS . 64.2 mt -95.34 -22.33 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 123.755 0.822 . . . . 71.11 111.462 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.75 14.87 62.41 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 122.708 0.194 . . . . 55.15 113.438 -175.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.05 139.29 34.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.98 0.912 . . . . 72.34 111.948 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.533 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . 6.0 m-20 -87.66 112.06 21.94 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.466 0.706 . . . . 72.31 110.721 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.2 p -72.52 -45.82 57.51 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.367 1.247 . . . . 74.01 114.367 -168.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -59.17 -35.77 74.13 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 123.767 0.827 . . . . 72.41 113.203 -168.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.533 ' HD3' ' HB2' ' A' ' 36' ' ' ASP . 4.8 ptm180 -74.74 -37.08 62.61 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.403 -0.817 . . . . 74.35 112.17 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 64.4 mt -63.25 -43.16 98.79 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 122.735 0.414 . . . . 74.52 111.571 -177.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.9 p -60.81 -38.95 87.13 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.07 0.948 . . . . 75.14 112.016 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.79 82.14 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.622 0.769 . . . . 51.44 112.084 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 73.3 mt-30 -68.05 -31.4 71.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.242 0.617 . . . . 71.3 111.456 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 40' ' ' LEU . 80.3 mt -67.02 -49.43 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 123.339 0.656 . . . . 73.11 110.161 171.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.0 -50.96 72.1 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.728 1.211 . . . . 73.0 112.943 -173.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.73 -34.74 74.87 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.945 0.72 . . . . 71.32 112.945 -177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.1 t -70.33 -46.71 63.65 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.461 0.704 . . . . 73.5 111.588 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 tt -82.14 -31.19 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.53 0 N-CA-C 113.157 0.799 . . . . 75.12 113.157 -172.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -65.31 -29.11 69.82 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 123.326 0.65 . . . . 73.21 112.536 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -59.46 -42.88 93.02 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 122.904 0.481 . . . . 74.41 111.785 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.78 -45.76 9.52 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.675 0.79 . . . . 74.33 112.064 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.734 HG12 ' HD2' ' A' ' 58' ' ' LYS . 17.5 t -95.66 -13.25 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 124.171 0.988 . . . . 64.21 112.902 -168.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.25 11.09 2.25 Favored Glycine 0 CA--C 1.54 1.608 0 N-CA-C 116.962 1.545 . . . . 72.12 116.962 -169.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -65.32 -21.28 66.69 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 117.697 0.748 . . . . 73.42 111.55 166.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.438 ' HA ' ' HB3' ' A' ' 59' ' ' TYR . 30.7 p 66.01 12.07 8.18 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 126.639 1.975 . . . . 71.42 114.832 171.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -74.08 78.89 1.73 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.021 0.528 . . . . 73.23 111.712 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tpt 70.67 -60.0 0.51 Allowed 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 126.008 1.723 . . . . 73.33 113.639 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.734 ' HD2' HG12 ' A' ' 52' ' ' VAL . 10.3 ttmm -50.32 -44.53 54.24 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.943 1.297 . . . . 74.03 113.405 -173.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.438 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 81.6 t80 -58.51 -48.83 79.53 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 112.802 0.667 . . . . 73.12 112.802 -175.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -64.15 -49.84 70.55 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 122.926 0.141 . . . . 75.13 110.929 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -60.2 -37.74 81.18 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.464 0.706 . . . . 73.32 111.975 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -64.39 -47.06 80.65 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.135 0.974 . . . . 73.53 111.391 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.462 HG22 ' SG ' ' A' ' 16' ' ' CYS . 96.7 t -63.87 -38.8 83.3 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 C-N-CA 122.612 0.365 . . . . 72.11 110.912 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -59.23 -42.88 92.11 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.433 0.693 . . . . 74.44 111.101 172.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.9 m -67.29 -36.51 81.7 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.334 0.654 . . . . 71.32 111.802 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.509 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 25.2 mmt180 -59.11 -53.39 58.87 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.514 0.726 . . . . 74.32 110.45 176.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.563 HD12 ' SD ' ' A' ' 19' ' ' MET . 71.4 mt -56.19 -42.31 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 C-N-CA 123.904 0.881 . . . . 64.11 111.762 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 39.1 t -55.3 -51.48 66.57 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.816 0.846 . . . . 70.42 112.153 -176.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.516 ' HB2' HD22 ' A' ' 75' ' ' ASN . 2.4 p-10 -71.54 -26.67 62.74 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 112.441 0.534 . . . . 74.24 112.441 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 66' ' ' ARG . 94.3 mt -63.12 -39.12 93.77 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 122.882 0.473 . . . . 73.32 111.845 177.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -103.24 3.59 35.73 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.5 0.72 . . . . 75.32 112.713 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 68' ' ' SER . 4.1 t70 -82.08 146.98 29.36 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.044 0.45 . . . . 74.41 111.873 -174.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -18.48 45.51 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.94 0.896 . . . . 74.31 112.924 -176.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -70.25 -35.63 73.93 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.333 0.653 . . . . 74.1 111.738 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.516 HD22 ' HB2' ' A' ' 69' ' ' ASN . 19.0 p-10 -137.63 68.77 52.61 Favored Pre-proline 0 CA--C 1.57 1.724 0 C-N-CA 123.456 0.702 . . . . 73.45 112.468 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.95 -22.41 8.75 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.541 2.161 . . . . 53.5 112.522 173.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -63.53 -31.33 72.46 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.205 1.402 . . . . 75.51 111.944 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 56.9 tp -54.79 -57.08 12.97 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 124.011 0.924 . . . . 75.24 112.574 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.426 ' HD2' HD21 ' A' ' 24' ' ' LEU . 9.5 tpp180 -74.11 -34.11 63.82 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.551 0.34 . . . . 74.22 111.464 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -53.92 -43.75 70.0 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.859 0.464 . . . . 75.1 111.127 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -67.0 -34.57 78.02 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 123.851 0.86 . . . . 74.41 112.18 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 87' ' ' ILE . 26.3 t -67.63 -47.57 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 CA-C-O 120.975 0.417 . . . . 62.01 110.975 177.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.11 -32.85 71.38 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.246 1.019 . . . . 52.14 112.32 175.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.404 ' SG ' HD12 ' A' ' 33' ' ' ILE . 98.0 m -80.12 -13.44 59.27 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.245 0.618 . . . . 73.54 112.312 176.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.53 3.87 74.18 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 119.7 -0.5 . . . . 72.34 114.195 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.16 74.86 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.467 0.707 . . . . 72.34 110.545 175.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 82' ' ' VAL . 66.7 mt -107.57 137.87 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 123.849 0.859 . . . . 74.43 109.003 173.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.4 p -86.88 152.52 53.84 Favored Pre-proline 0 N--CA 1.487 1.395 0 O-C-N 122.177 -0.327 . . . . 73.32 111.176 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -56.08 -22.74 40.84 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 122.832 2.354 . . . . 74.52 114.117 169.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -69.16 -45.39 70.14 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.291 0.636 . . . . 73.15 110.717 174.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -56.26 -56.62 18.72 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.633 0.773 . . . . 74.2 111.513 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.8 tp -63.35 -20.46 26.13 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 C-N-CA 123.525 0.73 . . . . 75.02 112.314 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.29 -33.68 59.09 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.399 0.68 . . . . 62.25 112.498 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.2 m -105.53 -15.5 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 113.343 0.868 . . . . 74.33 113.343 -175.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.492 ' HE3' ' HG2' ' A' ' 100' ' ' MET . 31.5 ttp -76.8 137.18 39.09 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.566 0.746 . . . . 71.02 112.676 -173.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 t -75.63 165.73 24.63 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.616 0.766 . . . . 74.22 111.738 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.3 p -64.74 -30.24 71.25 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 114.071 1.137 . . . . 74.12 114.071 -171.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.55 -48.94 73.17 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.759 0.79 . . . . 75.34 110.445 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -78.0 -23.04 48.46 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 114.821 -1.081 . . . . 74.21 112.106 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.492 ' HG2' ' HE3' ' A' ' 95' ' ' MET . 68.2 mtm . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 110.042 -0.355 . . . . 74.13 110.042 169.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 112.208 0.448 . . . . 63.21 112.208 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.08 -60.56 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 123.513 0.725 . . . . 73.31 111.052 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -31.88 70.34 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.064 -0.516 . . . . 74.33 111.153 177.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -59.18 -33.05 70.48 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 120.729 0.3 . . . . 75.23 110.7 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.417 ' HG3' ' HE2' ' A' ' 19' ' ' MET . 17.3 tppt? -78.91 -35.91 42.74 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 123.208 0.603 . . . . 74.14 111.561 171.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.2 m -62.6 -53.93 47.19 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 123.621 0.768 . . . . 74.12 112.37 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 ptt85 -55.07 -40.83 70.76 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 112.267 0.469 . . . . 63.0 112.267 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.93 -34.86 69.4 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.876 1.065 . . . . 73.01 113.876 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.752 ' SD ' HD12 ' A' ' 67' ' ' ILE . 23.8 ptp -72.83 -29.46 63.25 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 120.76 0.314 . . . . 75.43 111.022 176.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.18 -41.14 67.34 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.374 0.67 . . . . 72.43 111.061 172.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.483 HG23 HE21 ' A' ' 25' ' ' GLN . 25.7 m -62.99 -38.18 90.13 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.546 0.738 . . . . 75.34 110.425 173.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -61.56 -39.44 91.14 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.086 0.954 . . . . 73.12 111.632 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.59 74.27 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.391 0.676 . . . . 72.3 112.61 174.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.92 -11.28 51.13 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 113.396 0.887 . . . . 74.43 113.396 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 9.9 pt20 -116.79 5.36 13.07 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 123.398 0.679 . . . . 73.14 111.788 178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -55.55 -39.34 70.47 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.089 0.955 . . . . 73.2 113.272 -170.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -124.01 20.48 9.11 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 123.686 0.794 . . . . 73.12 109.992 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.5 m80 63.26 38.51 10.33 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 124.837 1.255 . . . . 71.21 111.045 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.08 -47.48 79.92 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.778 1.231 . . . . 73.04 111.569 -173.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -62.51 -29.36 70.49 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.077 -0.965 . . . . 75.15 111.789 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.9 t -70.35 -42.59 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 123.152 0.581 . . . . 75.33 110.57 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.44 79.74 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.752 0.821 . . . . 71.55 112.091 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.9 mt -88.05 -25.56 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 123.791 0.837 . . . . 73.43 111.635 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.86 28.48 37.93 Favored Glycine 0 CA--C 1.536 1.389 0 CA-C-N 116.294 -0.412 . . . . 61.21 113.732 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.16 138.35 36.38 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.142 0.977 . . . . 75.13 111.416 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -80.09 98.39 7.25 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.643 0.377 . . . . 73.33 110.373 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -67.35 -23.29 65.59 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.107 1.151 . . . . 74.31 114.107 -173.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -70.64 -41.9 71.56 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.275 0.63 . . . . 74.01 111.751 -173.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -73.41 -34.04 65.28 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.116 0.566 . . . . 74.4 111.443 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.61 -48.89 70.72 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.876 0.47 . . . . 75.11 111.276 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.5 p -58.89 -37.31 76.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.322 1.049 . . . . 72.53 112.089 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.49 -31.96 72.78 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.081 0.953 . . . . 64.45 112.161 173.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -78.1 -30.29 49.45 Favored 'General case' 0 CA--C 1.563 1.442 0 C-N-CA 123.285 0.634 . . . . 74.14 112.241 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 89' ' ' PRO . 3.6 mp -65.52 -43.46 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 N-CA-C 108.952 -0.759 . . . . 64.35 108.952 166.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -59.77 -51.54 69.33 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.244 -0.889 . . . . 75.52 112.127 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -64.36 -32.63 74.32 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.673 0.389 . . . . 74.34 111.828 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.12 -49.16 65.86 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.349 0.66 . . . . 74.11 111.827 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.6 tt -72.14 -24.02 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.537 0 C-N-CA 122.769 0.427 . . . . 74.23 111.017 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.84 -37.55 67.39 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.681 0.792 . . . . 73.45 111.682 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -64.95 -42.29 94.75 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.25 0.62 . . . . 74.33 112.573 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -91.65 -54.06 4.04 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.589 0.709 . . . . 71.31 112.318 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -103.69 -9.41 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 C-N-CA 124.217 1.007 . . . . 74.44 112.988 -166.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.94 14.15 0.14 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 117.809 1.884 . . . . 52.22 117.809 -171.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -64.81 -12.2 45.35 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.792 0.837 . . . . 64.43 112.365 163.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p 61.99 34.86 16.42 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 125.729 1.611 . . . . 71.53 113.294 173.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.87 -169.0 2.36 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-N 115.806 -0.634 . . . . 73.1 110.781 178.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -56.85 -44.48 82.18 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.195 0.998 . . . . 74.33 112.828 -171.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -64.24 -35.9 82.33 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.24 0.616 . . . . 74.44 112.198 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -62.31 -48.37 80.14 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.519 0.728 . . . . 63.21 110.828 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.9 mmtp -55.12 -47.46 74.99 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.288 0.992 . . . . 73.13 111.404 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -61.53 -47.78 84.04 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.542 0.737 . . . . 72.31 111.585 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -60.86 -37.12 81.02 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.722 0.809 . . . . 74.12 112.189 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 67' ' ' ILE . 97.4 t -69.08 -46.57 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 122.988 0.515 . . . . 60.1 111.038 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 39.7 mtm180 -61.26 -40.55 94.5 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 122.587 0.355 . . . . 71.25 111.626 179.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.3 t -67.85 -36.1 79.73 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.486 0.715 . . . . 73.4 111.161 175.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.497 ' HE ' ' HG ' ' A' ' 70' ' ' LEU . 6.6 tpm_? -65.61 -43.42 89.65 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.797 0.439 . . . . 75.11 110.976 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.752 HD12 ' SD ' ' A' ' 19' ' ' MET . 53.8 mt -58.13 -57.42 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 123.418 0.687 . . . . 74.54 110.627 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.2 p -58.37 -42.74 87.66 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.136 0.974 . . . . 74.23 112.208 -174.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.449 ' O ' HD21 ' A' ' 78' ' ' LEU . 15.1 m120 -75.2 -26.99 59.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.134 0.573 . . . . 74.03 112.509 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.497 ' HG ' ' HE ' ' A' ' 66' ' ' ARG . 55.7 mt -66.39 -62.7 1.33 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.745 -0.465 . . . . 73.22 109.745 170.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 18.7 ptpt -75.91 15.86 0.48 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 113.357 0.873 . . . . 72.5 113.357 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.69 135.99 56.47 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.263 1.025 . . . . 64.31 112.44 -175.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.85 -29.91 32.32 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.39 -0.823 . . . . 64.02 111.945 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -74.88 -27.18 60.14 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 122.947 0.499 . . . . 74.33 111.49 -175.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -136.3 85.1 27.61 Favored Pre-proline 0 CA--C 1.564 1.481 0 C-N-CA 123.778 0.831 . . . . 73.43 109.118 172.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -71.39 -25.82 21.16 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.708 2.272 . . . . 72.54 111.569 173.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.468 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 16.0 m-20 -66.88 -20.43 65.92 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.16 0.984 . . . . 73.23 112.436 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.449 HD21 ' O ' ' A' ' 69' ' ' ASN . 41.5 tp -63.35 -56.33 17.24 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.021 0.528 . . . . 75.32 111.959 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -71.57 -32.91 68.6 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.368 0.267 . . . . 74.34 110.615 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.468 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 78.4 ttt180 -56.67 -38.68 72.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.596 1.158 . . . . 73.14 111.744 176.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.651 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 92.8 m-20 -73.82 -31.39 63.21 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.677 0.791 . . . . 73.24 112.278 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.5 t -71.3 -39.16 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.314 0.578 . . . . 74.15 110.52 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.41 -33.44 60.96 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.234 1.013 . . . . 73.22 111.936 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.651 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 20.0 p -81.93 -17.25 47.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 122.014 -0.429 . . . . 64.23 111.204 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.39 14.57 55.5 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 114.574 0.589 . . . . 51.25 114.574 177.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.27 -55.15 13.16 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 117.713 0.757 . . . . 74.3 110.72 173.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.2 mp -97.28 131.01 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 N-CA-C 108.61 -0.885 . . . . 74.43 108.61 169.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.1 p -80.16 148.0 66.4 Favored Pre-proline 0 N--CA 1.484 1.234 0 C-N-CA 122.559 0.343 . . . . 71.43 111.02 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.488 ' HB3' HD12 ' A' ' 44' ' ' ILE . 90.5 Cg_exo -49.33 -36.05 36.86 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 123.705 2.937 . . . . 74.24 115.812 176.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -37.07 82.17 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.459 0.304 . . . . 74.44 111.568 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 95' ' ' MET . 29.5 mt-30 -67.21 -56.45 9.84 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.967 0.507 . . . . 72.43 111.252 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.37 -27.5 33.2 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.571 0 C-N-CA 123.009 0.524 . . . . 74.22 112.147 -176.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.25 -36.32 74.39 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 123.48 0.712 . . . . 62.22 112.446 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.1 m -95.77 -4.88 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 112.669 0.618 . . . . 74.24 112.669 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 91' ' ' GLN . 94.5 mtp -75.42 127.5 33.25 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 122.79 0.436 . . . . 73.12 111.94 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.472 ' HB ' ' HG2' ' A' ' 99' ' ' GLU . 89.1 m -68.04 159.48 30.73 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.596 1.159 . . . . 73.51 110.568 173.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.6 p -52.67 -40.1 62.54 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.904 0.882 . . . . 75.14 111.654 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.455 ' H ' HG21 ' A' ' 96' ' ' THR . 24.3 tt0 -63.9 -40.44 96.51 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.233 0.613 . . . . 73.52 111.989 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.472 ' HG2' ' HB ' ' A' ' 96' ' ' THR . 15.9 mm-40 -59.42 -39.68 84.28 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.461 0.648 . . . . 63.43 111.06 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.42 ' SD ' HD23 ' A' ' 78' ' ' LEU . 76.4 mtm . . . . . 0 CA--C 1.557 1.25 0 C-N-CA 124.413 1.085 . . . . 73.1 112.806 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 114.327 1.232 . . . . 72.41 114.327 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.3 t -58.31 -62.66 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 113.631 0.974 . . . . 72.22 113.631 -171.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -70.43 -30.42 67.27 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.322 0.249 . . . . 73.44 111.666 -172.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.9 -44.98 79.4 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.786 0.435 . . . . 63.3 110.267 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -61.31 -47.32 86.47 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.183 0.593 . . . . 74.33 111.25 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.9 m -59.43 -39.94 85.16 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.69 0.796 . . . . 52.41 111.763 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -63.09 -47.85 81.12 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.927 0.891 . . . . 73.53 110.156 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.26 -45.73 79.97 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.994 0.918 . . . . 73.11 111.486 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.1 mtm -74.27 -27.56 60.8 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.777 0.831 . . . . 75.43 113.233 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.0 -45.44 85.59 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 118.031 0.378 . . . . 72.44 110.573 172.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -68.0 -34.37 76.38 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 115.742 -0.663 . . . . 71.33 110.879 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.05 -31.67 69.41 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.799 0.84 . . . . 72.5 111.791 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.548 ' HB3' HG22 ' A' ' 67' ' ' ILE . . . -66.29 -26.0 67.12 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.786 0.834 . . . . 65.24 111.082 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.5 mt -78.83 -36.05 43.09 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.601 0.761 . . . . 74.01 111.008 171.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -88.44 16.87 5.84 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.236 1.014 . . . . 74.43 112.447 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 t -63.75 -32.58 74.12 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.514 0.726 . . . . 74.23 111.478 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -154.01 169.79 22.65 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.092 0.957 . . . . 74.54 108.834 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -85.43 30.07 0.64 Allowed 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.872 0.693 . . . . 75.22 112.872 -174.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.04 -49.61 76.69 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.785 0.834 . . . . 72.52 111.882 173.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -66.28 -29.16 69.32 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.376 0.27 . . . . 74.04 111.515 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.1 t -73.99 -38.06 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 123.719 0.808 . . . . 73.53 110.842 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.5 -36.26 83.32 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.015 0.926 . . . . 73.24 111.532 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.442 HG21 ' HA ' ' A' ' 84' ' ' CYS . 78.1 mt -80.85 -25.73 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.485 0 C-N-CA 123.799 0.84 . . . . 75.34 110.836 174.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.12 -1.25 60.74 Favored Glycine 0 N--CA 1.483 1.767 0 N-CA-C 114.25 0.46 . . . . 73.11 114.25 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.28 111.16 20.18 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.356 0.662 . . . . 72.54 111.073 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -70.4 139.18 51.82 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-O 121.593 0.711 . . . . 71.05 110.33 175.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.2 p -73.23 -25.22 60.64 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 115.735 1.754 . . . . 75.54 115.735 -160.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.54 -48.26 78.24 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 113.799 1.037 . . . . 71.41 113.799 -167.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -29.54 67.21 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 118.557 0.617 . . . . 74.3 111.219 179.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.36 -35.8 81.6 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.33 0.652 . . . . 74.45 110.782 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.9 t -77.17 -34.37 56.35 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.841 0.856 . . . . 64.24 112.316 172.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.89 74.17 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 114.317 1.229 . . . . 63.12 114.317 -171.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -63.19 -33.1 74.75 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 120.934 0.397 . . . . 71.52 111.376 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.8 mt -74.46 -33.73 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.265 0.626 . . . . 72.24 111.652 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.01 -46.29 68.31 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.164 0.986 . . . . 71.51 111.96 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -78.28 -35.75 47.57 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 116.18 -0.463 . . . . 71.23 112.106 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.39 -49.01 78.63 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 123.16 0.584 . . . . 63.15 112.081 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -70.72 -26.18 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.307 0 C-N-CA 123.78 0.832 . . . . 72.51 110.781 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.693 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 88.7 t80 -63.58 -39.57 94.74 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.143 0.577 . . . . 74.54 112.534 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -52.68 -46.41 67.24 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.043 0.937 . . . . 75.34 112.383 -173.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.42 -56.54 3.17 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.936 0.717 . . . . 75.53 112.936 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.515 HG13 ' HD2' ' A' ' 58' ' ' LYS . 29.1 m -113.01 -13.37 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 114.599 1.333 . . . . 74.51 114.599 -168.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.693 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -63.49 -5.64 12.78 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 115.107 0.803 . . . . 71.41 115.107 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -61.12 -5.8 1.67 Allowed 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 124.856 1.262 . . . . 71.45 113.205 166.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.4 p 67.4 46.9 1.34 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.935 2.094 . . . . 75.24 111.934 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -77.45 171.75 14.4 Favored 'General case' 0 CA--C 1.56 1.363 0 CA-C-N 113.913 -1.494 . . . . 74.04 110.998 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -61.01 -33.73 73.72 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.17 0.588 . . . . 74.34 111.125 173.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HD2' HG13 ' A' ' 52' ' ' VAL . 18.8 ttmm -59.76 -42.4 93.17 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.729 0.812 . . . . 74.44 111.105 172.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -64.8 -43.3 93.61 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.745 0.818 . . . . 75.03 111.408 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.4 mmtp -54.84 -53.59 53.38 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.3 0.64 . . . . 75.33 111.068 178.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.32 -37.15 84.72 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.267 -0.879 . . . . 70.43 112.225 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.46 HH22 ' HE1' ' A' ' 100' ' ' MET . 10.5 tpt180 -70.89 -32.94 70.06 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.894 0.477 . . . . 74.43 111.766 -176.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.9 t -70.37 -43.61 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.864 0.866 . . . . 75.42 111.229 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 66.3 mtm180 -59.44 -42.13 91.21 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.276 0.56 . . . . 73.1 110.604 175.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.1 t -63.39 -51.31 66.37 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 115.073 -0.967 . . . . 74.43 111.786 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.509 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -65.06 -56.89 10.42 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.158 0.583 . . . . 74.45 111.565 -168.745 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.548 HG22 ' HB3' ' A' ' 23' ' ' ALA . 80.6 mt -56.24 -42.53 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 124.01 0.924 . . . . 71.53 111.514 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.9 t -61.84 -40.81 96.6 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.739 0.815 . . . . 64.32 111.945 176.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.543 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 17.4 m120 -75.83 -24.24 55.82 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.776 0.831 . . . . 72.3 112.92 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.612 HD21 ' HD3' ' A' ' 79' ' ' ARG . 87.0 mt -71.52 -31.41 67.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.163 0.585 . . . . 73.33 111.185 176.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -112.05 15.21 20.71 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.022 0.929 . . . . 73.41 111.885 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.543 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 8.6 t70 -65.15 137.34 57.57 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.536 0.734 . . . . 71.24 112.504 -170.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.09 -27.82 60.05 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.437 0.695 . . . . 73.02 112.453 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -84.97 -41.29 16.0 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.243 0.617 . . . . 74.04 110.364 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -132.84 77.82 67.69 Favored Pre-proline 0 CA--C 1.563 1.467 0 C-N-CA 123.088 0.555 . . . . 75.44 111.044 178.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -80.69 -20.24 8.05 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.651 2.234 . . . . 74.21 112.132 170.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.28 -25.3 67.01 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.806 1.243 . . . . 72.12 112.301 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 55.8 tp -53.46 -58.37 7.38 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.871 0.868 . . . . 64.23 111.661 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.612 ' HD3' HD21 ' A' ' 70' ' ' LEU . 5.7 tpt180 -79.43 -31.0 42.51 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.817 0.673 . . . . 73.43 112.817 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -60.39 -31.84 70.75 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.079 0.551 . . . . 75.34 112.066 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.443 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 90.0 m-20 -69.61 -30.62 68.4 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.139 0.576 . . . . 74.42 111.873 172.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.511 HG23 ' HB ' ' A' ' 87' ' ' ILE . 16.5 t -72.66 -35.87 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 122.577 0.351 . . . . 62.11 110.489 174.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.32 -36.12 82.1 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.782 0.833 . . . . 74.12 111.771 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 31.4 p -82.56 -16.32 48.99 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 122.765 0.426 . . . . 73.05 111.737 175.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.28 10.72 55.64 Favored Glycine 0 N--CA 1.476 1.336 0 N-CA-C 114.644 0.618 . . . . 72.51 114.644 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.91 -54.74 16.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.576 0.75 . . . . 64.34 111.477 174.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.511 ' HB ' HG23 ' A' ' 82' ' ' VAL . 65.2 mt -89.47 137.8 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.164 0.585 . . . . 72.44 109.79 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 p -76.87 152.59 82.74 Favored Pre-proline 0 N--CA 1.486 1.349 0 C-N-CA 122.967 0.507 . . . . 74.22 111.567 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -50.99 -32.48 38.61 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 123.25 2.633 . . . . 72.15 113.936 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -68.81 -48.0 64.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.716 0.406 . . . . 74.3 112.068 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.403 ' HA ' HG23 ' A' ' 94' ' ' VAL . 14.8 mm100 -65.16 -47.09 78.23 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.051 0.389 . . . . 72.23 112.051 -173.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -65.35 -21.42 29.26 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.751 0 C-N-CA 122.555 0.342 . . . . 72.13 111.821 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.55 -33.55 28.1 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.627 0.771 . . . . 75.21 112.936 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.403 HG23 ' HA ' ' A' ' 91' ' ' GLN . 35.0 m -92.3 -31.69 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 113.593 0.96 . . . . 71.33 113.593 -174.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 67.4 mtm -61.81 128.26 35.35 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.962 0.727 . . . . 74.31 112.962 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.3 p -71.18 171.99 10.04 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.015 0.526 . . . . 71.42 111.192 173.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.0 m -56.03 -38.67 70.87 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 122.946 0.499 . . . . 71.23 111.937 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -62.0 -35.19 77.79 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.302 1.041 . . . . 74.14 111.314 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -77.75 -37.9 48.13 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.734 0.813 . . . . 63.23 111.158 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.46 ' HE1' HH22 ' A' ' 62' ' ' ARG . 39.2 mtm . . . . . 0 N--CA 1.485 1.301 0 C-N-CA 123.841 0.856 . . . . 75.13 112.606 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.064 0 N-CA-C 112.81 0.671 . . . . 73.3 112.81 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.423 HG12 ' HG ' ' A' ' 16' ' ' CYS . 38.3 t -58.46 -50.82 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.388 0.675 . . . . 63.14 111.411 177.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -55.98 -47.28 77.98 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.617 1.167 . . . . 74.44 112.231 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -67.14 -44.35 80.04 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.386 -0.824 . . . . 75.23 111.22 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -63.66 -39.43 94.32 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.661 0.784 . . . . 73.31 111.556 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.423 ' HG ' HG12 ' A' ' 12' ' ' VAL . 92.4 m -64.43 -44.08 92.29 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.951 0.901 . . . . 65.31 111.37 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.47 ' HE ' ' HB1' ' A' ' 42' ' ' ALA . 49.0 ttt180 -60.28 -42.31 95.15 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.144 0.577 . . . . 74.22 111.283 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -56.95 -52.16 66.3 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 112.868 0.692 . . . . 74.11 112.868 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -72.65 -28.05 62.5 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 112.672 0.619 . . . . 72.25 112.672 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.17 -41.31 99.22 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 122.803 0.441 . . . . 62.41 111.022 167.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -66.27 -40.59 90.21 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.562 0.745 . . . . 71.4 110.624 176.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.28 -32.02 73.44 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.97 0.908 . . . . 64.12 112.155 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.43 -30.63 71.73 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.323 0.649 . . . . 74.34 111.674 173.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.647 ' HB3' HD21 ' A' ' 83' ' ' LEU . 84.5 mt -86.97 -29.22 22.2 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.919 0.887 . . . . 74.45 112.415 176.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -86.85 -19.4 29.0 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 113.567 0.951 . . . . 74.42 113.567 -177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -52.47 -47.53 66.45 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 114.185 1.18 . . . . 74.5 114.185 -171.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -97.43 2.3 50.22 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.307 0.643 . . . . 75.03 112.119 176.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 m80 62.03 19.98 11.23 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.914 1.286 . . . . 74.15 113.781 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -57.87 -26.23 61.83 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 113.254 0.835 . . . . 75.22 113.254 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -62.73 -23.36 67.14 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.592 0.757 . . . . 73.44 112.757 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.53 -44.61 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.22 0.608 . . . . 75.43 111.685 -176.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.15 -30.17 68.34 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.307 0.643 . . . . 73.04 111.902 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -88.04 -31.35 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 C-N-CA 123.688 0.795 . . . . 75.51 112.043 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.42 55.64 6.69 Favored Glycine 0 N--CA 1.473 1.137 0 CA-C-N 116.109 -0.496 . . . . 75.11 112.433 -171.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -118.92 127.41 53.46 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.022 0.929 . . . . 74.11 110.872 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.48 ' HB2' ' HG2' ' A' ' 39' ' ' ARG . 7.8 m-20 -78.79 97.97 6.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.421 0.288 . . . . 64.02 110.567 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.1 m -57.65 -26.21 61.3 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.665 0.786 . . . . 60.42 112.966 -177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.16 -38.7 66.12 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.103 0.561 . . . . 73.31 112.513 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 17.0 ptp180 -76.6 -31.46 57.47 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-N 118.494 0.588 . . . . 73.32 110.468 177.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.48 -49.14 70.2 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.886 0.474 . . . . 73.21 110.38 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.9 p -64.72 -29.66 70.65 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.634 0.774 . . . . 75.22 112.028 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.47 ' HB1' ' HE ' ' A' ' 17' ' ' ARG . . . -70.48 -39.78 73.99 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.559 0.743 . . . . 74.34 111.792 175.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -70.97 -29.8 65.89 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.626 0.37 . . . . 74.25 111.041 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.1 mt -64.07 -44.59 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.589 0.755 . . . . 75.43 110.095 166.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -41.1 98.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.408 1.083 . . . . 73.22 111.167 -172.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -39.56 92.4 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 118.055 0.389 . . . . 72.31 111.587 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.1 m -67.76 -48.97 64.89 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.94 0.496 . . . . 71.4 111.619 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.05 -25.52 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.398 0 C-N-CA 122.811 0.444 . . . . 73.52 111.039 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -73.24 -37.03 66.49 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 122.941 0.496 . . . . 73.42 111.924 175.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -69.92 -36.67 75.54 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.944 0.498 . . . . 75.42 111.791 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.97 -54.19 4.24 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-O 121.67 0.747 . . . . 75.34 111.83 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.641 HG22 ' HG2' ' A' ' 62' ' ' ARG . 6.3 t -110.63 -8.45 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 C-N-CA 124.4 1.08 . . . . 71.54 112.192 -169.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.11 19.67 0.12 Allowed Glycine 0 N--CA 1.478 1.445 0 N-CA-C 118.688 2.235 . . . . 54.33 118.688 -166.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.429 HD22 ' HD3' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -65.98 90.81 0.14 Allowed 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 118.682 1.241 . . . . 64.43 108.435 157.53 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.41 ' O ' ' HE3' ' A' ' 60' ' ' LYS . 8.2 t -55.57 -23.43 26.98 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.121 0.969 . . . . 75.52 113.571 -167.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.95 115.67 5.61 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.226 0.61 . . . . 74.41 110.98 169.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.2 ttt 67.17 -77.1 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 125.006 1.322 . . . . 73.12 114.276 169.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.429 ' HD3' HD22 ' A' ' 54' ' ' ASN . 61.2 tttp -58.16 -48.91 78.82 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.536 1.134 . . . . 71.34 113.266 -167.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 63' ' ' VAL . 59.1 t80 -59.75 -46.27 89.67 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.482 0.713 . . . . 75.41 112.465 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' ' 55' ' ' THR . 95.5 mttt -55.8 -46.23 78.06 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.899 0.88 . . . . 74.42 112.145 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -72.41 -33.3 67.05 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.363 0.665 . . . . 61.43 111.499 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.641 ' HG2' HG22 ' A' ' 52' ' ' VAL . 27.5 tpt180 -75.54 -26.82 58.34 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.095 0.558 . . . . 74.25 112.171 -177.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 59' ' ' TYR . 95.3 t -60.91 -40.65 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 109.689 -0.486 . . . . 75.0 109.689 170.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -65.49 -31.09 71.98 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.846 0.458 . . . . 75.13 111.482 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.1 m -60.47 -34.36 73.91 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 122.762 0.425 . . . . 72.4 111.205 174.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -73.92 -54.6 7.58 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.232 0.613 . . . . 74.42 110.751 175.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.1 mt -55.2 -57.86 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.505 1.122 . . . . 72.22 112.29 -176.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.2 t -56.02 -41.47 75.0 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.436 1.094 . . . . 72.34 112.211 -175.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -75.95 -30.01 58.51 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.521 0.728 . . . . 54.44 112.823 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.89 -46.13 72.5 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 120.8 0.333 . . . . 74.33 110.227 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -86.5 4.32 40.36 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.489 1.115 . . . . 75.52 112.139 -177.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -73.31 152.32 40.98 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.647 0.779 . . . . 74.21 112.866 -169.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.1 -21.58 39.8 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.951 0.9 . . . . 65.45 113.027 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -68.39 -37.29 80.24 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 123.01 0.524 . . . . 74.32 110.664 176.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -133.1 86.1 43.37 Favored Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 123.551 0.74 . . . . 74.35 109.316 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.22 -34.07 37.46 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.755 2.303 . . . . 65.1 111.859 176.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.98 -15.32 62.06 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.963 -1.017 . . . . 73.02 113.244 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.8 tp -56.77 -49.27 75.81 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 112.752 0.649 . . . . 73.21 112.752 -175.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -67.15 -36.83 82.68 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.839 0.456 . . . . 75.33 111.403 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -65.31 -39.89 93.07 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.946 1.298 . . . . 73.33 112.347 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.597 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 0.4 OUTLIER -76.83 -25.78 53.58 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.294 0.637 . . . . 73.33 112.23 -176.341 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.3 -39.22 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-O 121.071 0.462 . . . . 75.12 110.01 172.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.647 HD21 ' HB3' ' A' ' 24' ' ' LEU . 84.6 mt -66.08 -38.37 88.11 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.665 0.786 . . . . 73.04 112.221 176.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 17.4 p -81.63 -12.52 58.68 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 122.652 0.381 . . . . 72.5 111.752 176.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.26 17.27 69.57 Favored Glycine 0 C--N 1.352 1.451 0 N-CA-C 114.512 0.565 . . . . 72.15 114.512 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.17 -54.54 24.08 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.103 0.561 . . . . 71.24 110.394 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.5 mp -100.7 120.72 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 107.318 -1.364 . . . . 72.42 107.318 167.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.3 p -71.97 152.78 92.95 Favored Pre-proline 0 N--CA 1.482 1.166 0 C-N-CA 122.342 0.257 . . . . 54.41 111.159 -175.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -52.12 -29.82 38.48 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 123.253 2.635 . . . . 75.44 114.203 173.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -47.93 69.82 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.408 0.683 . . . . 72.32 110.016 175.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -64.09 -54.96 25.81 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.306 0.642 . . . . 72.41 111.77 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.62 -23.5 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 123.422 0.689 . . . . 74.04 112.493 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.21 -23.78 51.37 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.236 0.828 . . . . 63.42 113.236 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.1 m -110.95 -14.12 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 112.691 0.626 . . . . 70.41 112.691 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 80.9 mtp -58.73 139.98 55.44 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 123.698 0.799 . . . . 73.41 112.064 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.4 p -73.14 169.46 16.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.936 -0.478 . . . . 62.24 111.241 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.2 p -59.81 -35.5 74.83 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.803 0.441 . . . . 73.34 111.506 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.34 -39.55 81.85 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.402 0.681 . . . . 72.12 112.124 175.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.29 -41.41 96.89 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.6 0.76 . . . . 73.33 111.777 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 N--CA 1.485 1.282 0 C-N-CA 123.603 0.761 . . . . 73.51 112.555 -178.477 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 N-CA-C 111.632 0.234 . . . . 74.54 111.632 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.98 -61.65 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 123.757 0.823 . . . . 75.0 111.893 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -72.93 -31.67 64.77 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.435 0.294 . . . . 73.42 111.183 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -63.35 -35.55 80.77 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 122.492 0.317 . . . . 75.45 111.069 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -57.77 -45.28 86.2 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.135 0.974 . . . . 75.32 111.13 172.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.752 ' SG ' HG22 ' A' ' 63' ' ' VAL . 43.0 t -61.68 -46.23 90.59 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.165 -0.925 . . . . 74.43 111.998 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -56.45 -47.98 78.01 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.569 0.748 . . . . 75.15 111.376 173.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.26 -37.44 80.42 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.17 0.588 . . . . 75.12 112.413 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 75.4 mtm -72.11 -47.05 54.12 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.868 0.467 . . . . 74.11 111.668 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 93.1 mt -60.59 -40.78 93.0 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 122.767 0.427 . . . . 74.42 111.224 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.65 HG22 HE21 ' A' ' 25' ' ' GLN . 85.7 m -64.89 -39.21 93.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.956 0.903 . . . . 73.24 110.901 176.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -65.4 -34.4 78.22 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.625 0.77 . . . . 55.54 111.778 175.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 70' ' ' LEU . . . -65.45 -30.21 70.97 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.904 0.882 . . . . 73.42 112.01 173.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 20' ' ' LEU . 57.2 mt -79.97 -38.41 32.29 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.927 0.491 . . . . 75.15 111.782 177.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.65 HE21 HG22 ' A' ' 21' ' ' THR . 11.4 pt20 -99.23 10.25 41.81 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.249 0.62 . . . . 71.23 112.302 -177.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 t -53.94 -42.72 69.17 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 123.669 0.788 . . . . 73.02 112.769 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -86.38 -24.49 25.75 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 124.073 0.949 . . . . 64.32 110.46 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.6 m80 68.61 6.21 5.33 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 125.88 1.672 . . . . 71.52 113.361 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.15 -26.14 68.4 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.776 0.83 . . . . 75.03 110.817 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CD2' HD21 ' A' ' 83' ' ' LEU . 4.0 t-80 -58.68 -38.58 78.54 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 124.72 1.208 . . . . 71.21 110.756 175.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.38 -39.35 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.817 0.847 . . . . 73.33 110.407 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.04 91.78 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.22 1.008 . . . . 65.02 112.75 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.41 HD13 ' HB3' ' A' ' 83' ' ' LEU . 51.5 mt -77.57 -24.62 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 C-N-CA 123.336 0.654 . . . . 75.01 111.193 175.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.25 22.78 36.63 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 116.764 -0.198 . . . . 73.01 113.084 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.19 125.59 29.58 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.399 0.68 . . . . 74.32 110.424 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.472 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 4.2 m-20 -78.22 97.4 5.51 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.756 0.822 . . . . 74.23 110.879 -175.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.4 p -65.29 -48.95 71.37 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 113.913 1.079 . . . . 54.13 113.913 -170.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.36 -26.19 63.61 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.129 0.418 . . . . 74.2 112.129 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -62.52 -51.36 67.72 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.645 0.778 . . . . 74.21 111.291 171.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 44.6 mt -60.48 -51.55 68.99 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.913 0.485 . . . . 74.05 110.445 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 36.7 t -57.79 -41.29 81.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.542 1.137 . . . . 52.1 112.363 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.53 92.9 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.826 0.851 . . . . 70.43 112.305 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -77.19 -26.14 52.52 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.392 -0.822 . . . . 71.51 111.736 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 98.9 mt -69.15 -37.93 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 122.664 0.386 . . . . 74.22 110.108 170.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 41' ' ' SER . 7.3 mm-40 -55.37 -29.88 59.26 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.436 1.094 . . . . 75.45 112.955 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -66.97 -49.32 65.77 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.432 0.693 . . . . 74.25 111.55 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.42 -43.88 38.38 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.676 0.79 . . . . 64.22 112.741 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.7 tt -67.73 -27.26 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 123.319 0.648 . . . . 74.05 111.656 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -66.06 -24.24 66.69 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.111 0.964 . . . . 74.1 112.348 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -67.96 -48.24 66.39 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.107 0.563 . . . . 73.43 111.998 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -88.71 -55.66 3.62 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 121.686 0.755 . . . . 72.21 111.367 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.643 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 42.6 t -87.79 -10.43 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.067 0.947 . . . . 74.4 113.007 -170.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.51 -2.26 0.43 Allowed Glycine 0 N--CA 1.487 2.063 0 N-CA-C 116.459 1.344 . . . . 75.31 116.459 -174.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.15 96.37 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 123.984 0.914 . . . . 65.22 110.296 158.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.3 p -87.15 20.18 2.83 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 113.665 0.987 . . . . 75.4 113.665 -171.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.77 -81.87 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 122.796 0.438 . . . . 74.21 110.689 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.2 ttt -126.81 -39.55 1.96 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.065 0.546 . . . . 75.02 110.632 175.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.643 ' HE3' ' HA ' ' A' ' 52' ' ' VAL . 3.7 tmmm? -56.63 -36.13 69.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.757 0.823 . . . . 74.13 112.882 -170.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.551 ' HA ' HG13 ' A' ' 52' ' ' VAL . 61.9 t80 -65.82 -35.01 79.47 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 118.287 0.494 . . . . 73.1 111.877 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -44.02 49.33 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.295 1.038 . . . . 74.43 110.466 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -77.24 -30.9 54.73 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.617 1.167 . . . . 74.4 112.232 -172.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.461 ' HE ' ' HA ' ' A' ' 62' ' ' ARG . 0.8 OUTLIER -73.83 -44.05 56.88 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.915 0.486 . . . . 73.41 111.05 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.752 HG22 ' SG ' ' A' ' 16' ' ' CYS . 70.2 t -65.95 -43.22 92.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.225 -0.898 . . . . 71.32 112.574 -177.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -61.47 -33.43 73.74 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 118.572 0.624 . . . . 74.42 111.818 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.5 t -75.37 -31.28 60.46 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.697 0.799 . . . . 73.22 111.056 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.41 ' NH2' HG13 ' A' ' 92' ' ' ILE . 8.9 tpt180 -67.58 -37.24 82.32 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.702 0.801 . . . . 75.03 111.526 176.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.503 HG22 ' HB2' ' A' ' 23' ' ' ALA . 10.6 mm -52.88 -45.89 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 124.143 0.977 . . . . 63.5 112.124 176.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 97.3 p -60.73 -32.9 72.16 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.259 0.624 . . . . 73.02 112.067 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -73.35 -31.36 63.91 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.935 0.894 . . . . 75.0 112.02 175.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.54 ' HB2' ' HB3' ' A' ' 23' ' ' ALA . 88.9 mt -85.47 -8.77 58.19 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.407 0.683 . . . . 73.13 112.137 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HD2' HG23 ' A' ' 67' ' ' ILE . 19.0 ptmt -121.87 14.29 10.77 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.152 0.981 . . . . 75.03 110.751 174.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.53 123.64 20.59 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.779 0.831 . . . . 75.01 112.284 -169.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.87 1.21 50.75 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.814 0.846 . . . . 74.24 113.231 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -96.59 -51.85 4.16 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.207 0.603 . . . . 64.12 109.456 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -98.67 101.76 12.83 Favored Pre-proline 0 N--CA 1.481 1.106 0 N-CA-C 108.685 -0.857 . . . . 72.43 108.685 171.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -79.33 -26.49 4.98 Favored 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.174 1.916 . . . . 75.5 112.182 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.54 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 13.9 t70 -75.58 -30.67 59.71 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.936 0.895 . . . . 72.55 112.633 -165.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.4 tp -55.75 -55.44 32.3 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.43 0.692 . . . . 70.53 111.048 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 -75.6 -29.74 59.35 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.857 0.863 . . . . 74.32 112.788 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.54 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 36.6 ttt180 -59.01 -43.58 91.58 Favored 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 124.143 0.977 . . . . 75.14 112.252 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -70.96 -25.06 62.56 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 115.739 -0.664 . . . . 70.34 111.499 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.5 t -79.98 -26.43 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.671 0 C-N-CA 122.914 0.486 . . . . 74.41 110.933 172.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 80' ' ' ARG . 89.0 mt -65.36 -30.55 71.4 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 124.03 0.932 . . . . 75.23 111.577 173.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.7 p -102.44 -16.48 16.17 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.151 0.581 . . . . 72.03 112.011 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.4 27.55 54.74 Favored Glycine 0 CA--C 1.544 1.874 0 N-CA-C 114.075 0.39 . . . . 55.05 114.075 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.44 -8.97 59.75 Favored 'General case' 0 CA--C 1.563 1.458 0 C-N-CA 124.486 1.115 . . . . 64.04 113.645 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.4 mt -107.7 135.99 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 C-N-CA 123.275 0.63 . . . . 74.24 110.44 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.441 ' OG1' ' HB2' ' A' ' 91' ' ' GLN . 43.1 p -71.46 142.88 87.06 Favored Pre-proline 0 N--CA 1.484 1.26 0 C-N-CA 123.15 0.58 . . . . 74.14 110.625 176.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.47 -24.93 63.86 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 123.377 2.718 . . . . 73.31 114.658 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -73.63 -46.89 44.15 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.12 0.168 . . . . 74.01 110.806 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.441 ' HB2' ' OG1' ' A' ' 88' ' ' THR . 0.0 OUTLIER -58.27 -47.85 82.32 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.848 0.859 . . . . 73.44 111.208 -175.145 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.41 HG13 ' NH2' ' A' ' 66' ' ' ARG . 10.3 tp -63.37 -38.65 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.512 0 C-N-CA 122.876 0.47 . . . . 75.13 111.235 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.31 -31.39 58.16 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.273 0.842 . . . . 64.43 113.273 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.6 m -82.29 -19.58 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 112.376 0.51 . . . . 75.34 112.376 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.7 mtm -75.86 125.84 29.86 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 120.677 0.275 . . . . 74.25 111.619 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.9 p -82.92 179.29 7.81 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.189 0.996 . . . . 74.25 111.567 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -52.65 -34.42 51.4 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 123.515 0.726 . . . . 73.33 112.578 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.95 -54.43 44.89 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.591 1.156 . . . . 72.2 112.055 172.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -78.16 -29.3 48.56 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 115.609 -0.723 . . . . 72.1 112.877 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.484 1.24 0 C-N-CA 123.253 0.621 . . . . 73.35 111.539 -178.69 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.7 p . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.463 0.173 . . . . 71.31 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -109.86 145.04 37.46 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.77 0.828 . . . . 75.15 110.538 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 3' ' ' MET . 1.2 mpt? -85.77 130.75 49.58 Favored Pre-proline 0 CA--C 1.555 1.161 0 CA-C-N 115.534 -0.757 . . . . 74.24 111.029 -175.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -63.05 176.67 1.79 Allowed 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 122.735 2.29 . . . . 73.43 112.641 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.491 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 24.8 m -60.1 116.79 18.88 Favored Pre-proline 0 CA--C 1.569 1.686 0 CA-C-O 120.679 0.276 . . . . 72.32 110.827 177.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 5' ' ' VAL . 9.9 Cg_exo -73.26 168.27 25.18 Favored 'Trans proline' 0 C--N 1.369 1.634 0 C-N-CA 123.277 2.652 . . . . 72.0 113.847 -170.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.1 m -64.46 162.2 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 114.746 -1.115 . . . . 74.21 111.669 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.471 ' HB ' ' HB2' ' A' ' 14' ' ' ASN . 63.5 p -65.65 -26.98 68.04 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 115.651 -0.704 . . . . 73.31 112.608 -175.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t 68.09 -71.81 0.1 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 125.563 1.545 . . . . 70.34 112.274 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -159.13 171.4 20.02 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.812 1.245 . . . . 73.03 108.962 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.55 -3.74 1.61 Allowed 'General case' 0 CA--C 1.561 1.377 0 N-CA-C 113.816 1.043 . . . . 74.45 113.816 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -81.57 -60.89 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 118.408 0.549 . . . . 42.43 110.332 168.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -66.99 -44.02 81.47 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.097 0.559 . . . . 74.13 112.233 -172.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.471 ' HB2' ' HB ' ' A' ' 8' ' ' THR . 63.4 t30 -65.76 -33.69 76.45 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.84 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 84.7 tttt -68.38 -43.36 77.5 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.354 0.662 . . . . 75.23 111.168 176.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.4 m -62.18 -44.54 96.36 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.143 0.577 . . . . 72.21 111.343 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.96 -46.44 89.26 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.494 1.117 . . . . 75.15 111.146 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 15' ' ' LYS . 7.6 pt-20 -72.01 -30.59 65.37 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 112.257 0.466 . . . . 72.42 112.257 -177.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.422 ' HB3' HD12 ' A' ' 67' ' ' ILE . 67.8 mtm -71.46 -33.2 69.12 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.697 0.399 . . . . 75.53 111.473 175.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.57 -36.05 80.18 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 122.583 0.353 . . . . 72.15 110.716 170.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -63.76 -42.97 97.71 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.212 0.605 . . . . 72.42 110.607 172.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.53 -30.78 70.52 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.362 1.065 . . . . 74.32 111.647 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.4 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -63.93 -31.52 72.73 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.666 0.786 . . . . 72.52 111.788 171.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -86.34 -26.88 24.63 Favored 'General case' 0 CA--C 1.56 1.354 0 CA-C-N 115.319 -0.855 . . . . 72.14 112.171 174.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -89.96 -19.2 24.78 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 113.117 0.784 . . . . 74.32 113.117 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.445 HG21 ' HE2' ' A' ' 71' ' ' LYS . 12.9 t -59.93 -19.72 53.41 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.333 0.653 . . . . 72.41 112.089 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -137.43 150.67 47.8 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.682 1.193 . . . . 70.2 108.656 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -85.55 27.07 0.86 Allowed 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.321 0.648 . . . . 75.34 112.053 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -57.48 -46.21 83.98 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.762 1.225 . . . . 71.53 111.677 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -63.53 -25.58 68.32 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 115.27 -0.877 . . . . 70.15 112.083 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -73.39 -42.17 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.369 0.668 . . . . 73.15 110.614 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.57 97.64 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.441 0.696 . . . . 62.23 111.675 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.636 HD11 ' HD3' ' A' ' 80' ' ' ARG . 62.0 mt -76.45 -23.09 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 C-N-CA 123.605 0.762 . . . . 74.5 111.281 174.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.42 26.29 61.68 Favored Glycine 0 CA--C 1.536 1.404 0 CA-C-N 116.492 -0.322 . . . . 70.32 113.796 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.552 ' HB2' HD11 ' A' ' 40' ' ' LEU . . . -102.47 130.56 49.3 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.153 0.981 . . . . 75.33 111.08 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -79.02 111.81 15.6 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 121.132 0.492 . . . . 73.11 111.071 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.7 p -69.52 -30.6 68.48 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 114.23 1.196 . . . . 72.42 114.23 -168.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -31.11 71.67 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 113.558 0.947 . . . . 65.11 113.558 -173.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -82.45 -38.41 24.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.063 0.545 . . . . 65.2 110.984 174.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 35' ' ' ALA . 93.4 mt -60.43 -43.2 97.01 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.708 0.803 . . . . 63.14 111.814 -176.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.4 p -57.39 -46.66 83.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.0 0.92 . . . . 72.42 111.382 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.36 -31.71 71.3 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.367 1.067 . . . . 65.31 112.72 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -67.92 -45.12 75.25 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.256 0.622 . . . . 73.54 111.152 175.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.2 -37.39 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.006 0.522 . . . . 70.4 110.322 173.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.39 -47.08 85.72 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 124.341 1.056 . . . . 75.42 110.763 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.77 -34.63 77.18 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 118.194 0.452 . . . . 73.14 111.711 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.4 m -65.48 -41.5 93.25 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.396 0.678 . . . . 74.44 111.999 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.0 tt -83.49 -25.39 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.445 0 C-N-CA 122.677 0.391 . . . . 74.43 111.155 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -61.2 -27.16 68.22 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 124.713 1.205 . . . . 72.52 112.376 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -60.0 -43.6 95.1 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.149 0.58 . . . . 72.44 111.38 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -90.8 -55.76 3.44 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.757 0.789 . . . . 73.45 111.626 173.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.561 HG13 ' HD1' ' A' ' 59' ' ' TYR . 76.8 t -81.99 -19.47 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 N-CA-C 113.81 1.041 . . . . 73.13 113.81 -167.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.67 -11.42 10.49 Favored Glycine 0 N--CA 1.48 1.632 0 N-CA-C 116.778 1.471 . . . . 72.54 116.778 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.417 HD22 ' HD2' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -66.08 110.77 3.08 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 121.353 0.596 . . . . 62.41 110.332 169.185 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.7 p -79.33 14.2 1.63 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 114.163 1.172 . . . . 51.43 114.163 -166.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.95 -50.2 37.13 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.035 0.934 . . . . 70.14 112.631 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.5 -67.03 0.33 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.498 0.319 . . . . 73.5 111.594 -177.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' HD2' HD22 ' A' ' 54' ' ' ASN . 18.0 ptpt -60.72 -34.13 73.95 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.322 0.86 . . . . 73.54 113.322 -170.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.561 ' HD1' HG13 ' A' ' 52' ' ' VAL . 23.4 t80 -62.0 -31.71 72.11 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 118.421 0.555 . . . . 71.32 112.202 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -71.94 -48.98 41.41 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 122.92 0.488 . . . . 74.43 111.558 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -76.42 -45.0 33.46 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.438 0.695 . . . . 73.22 112.655 -173.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -57.13 -40.57 77.41 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.027 0.931 . . . . 75.03 112.786 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 67' ' ' ILE . 77.2 t -62.97 -45.0 99.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 123.65 0.594 . . . . 75.12 110.878 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -58.78 -47.54 84.34 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.246 0.546 . . . . 72.21 111.191 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.7 t -63.93 -35.4 80.54 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.154 0.981 . . . . 64.33 112.172 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -68.46 -45.72 71.69 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.01 0.924 . . . . 64.24 110.837 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.422 HD12 ' HB3' ' A' ' 19' ' ' MET . 93.7 mt -53.14 -44.98 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 124.586 1.154 . . . . 72.34 110.941 175.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.6 t -57.15 -49.1 76.98 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.289 -0.869 . . . . 74.34 111.817 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -65.74 -29.83 70.41 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.839 0.856 . . . . 73.33 112.755 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.9 mt -76.26 -19.16 58.58 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.872 0.693 . . . . 73.41 112.872 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.445 ' HE2' HG21 ' A' ' 26' ' ' THR . 19.3 ptpt -121.37 8.28 10.21 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.3 0.64 . . . . 75.44 112.569 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.81 141.14 51.36 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 113.136 0.791 . . . . 74.31 113.136 -169.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.13 -22.34 24.15 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.651 0.78 . . . . 70.41 112.923 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.81 -23.12 39.44 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.95 0.5 . . . . 75.22 110.818 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.467 ' ND2' ' HB2' ' A' ' 78' ' ' LEU . 64.3 t30 -138.35 75.86 38.56 Favored Pre-proline 0 CA--C 1.562 1.424 0 C-N-CA 122.754 0.421 . . . . 73.44 110.625 169.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -80.31 -15.86 11.15 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.862 2.375 . . . . 62.11 113.627 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.66 -17.35 57.8 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 122.852 0.461 . . . . 73.22 111.93 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.467 ' HB2' ' ND2' ' A' ' 75' ' ' ASN . 42.1 tp -55.69 -51.34 67.6 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.792 0.437 . . . . 74.04 111.798 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -60.67 -38.04 83.6 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 115.877 -0.601 . . . . 73.12 111.544 174.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.636 ' HD3' HD11 ' A' ' 33' ' ' ILE . 9.9 mmt85 -56.07 -46.85 78.84 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.662 0.785 . . . . 62.11 111.839 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -62.47 -39.81 94.61 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.329 0.652 . . . . 65.4 111.968 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.5 t -71.21 -49.51 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 C-N-CA 122.728 0.411 . . . . 75.25 111.543 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 70.6 mt -62.79 -39.11 93.22 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.469 1.108 . . . . 72.1 112.282 -177.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 p -83.49 -5.02 59.04 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.027 0.531 . . . . 72.12 112.392 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.61 16.83 78.66 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 114.73 0.652 . . . . 73.44 114.73 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.66 -46.94 74.06 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.327 0.651 . . . . 74.23 110.847 174.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 57.0 mt -108.9 119.71 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 108.353 -0.98 . . . . 75.33 108.353 169.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 74.9 p -73.41 149.81 89.03 Favored Pre-proline 0 N--CA 1.484 1.236 0 C-N-CA 122.923 0.489 . . . . 75.13 111.83 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -42.91 -38.82 7.24 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 124.407 3.404 . . . . 64.22 115.311 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.99 -47.35 83.49 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.629 0.771 . . . . 75.24 111.895 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -39.51 61.75 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.65 0.78 . . . . 72.21 112.357 -175.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 tp -72.06 -27.82 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 120.86 0.362 . . . . 72.21 111.332 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.32 -46.29 50.29 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.089 0.556 . . . . 72.54 111.606 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.9 m -77.02 -16.28 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 122.9 0.48 . . . . 74.31 112.067 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.509 ' SD ' ' HG2' ' A' ' 100' ' ' MET . 41.4 ttm -67.88 136.41 54.0 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.821 0.449 . . . . 64.22 110.016 171.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.1 p -75.0 155.01 37.8 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.567 0.347 . . . . 72.51 111.184 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.485 ' HA ' ' HE3' ' A' ' 100' ' ' MET . 80.2 p -57.32 -32.55 66.81 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.915 0.886 . . . . 75.44 112.575 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -59.43 -51.38 70.15 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.846 0.859 . . . . 75.53 111.416 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.58 -36.99 79.49 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.543 -0.753 . . . . 74.52 111.589 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.509 ' HG2' ' SD ' ' A' ' 95' ' ' MET . 41.5 mtm -62.52 -40.34 96.46 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.805 0.442 . . . . 73.41 110.851 175.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.33 -30.24 67.15 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.536 0.734 . . . . 73.04 112.258 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.2 t -67.82 119.12 12.0 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.994 0.518 . . . . 70.51 111.455 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.587 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 5.0 p-10 -65.62 -25.65 67.48 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.561 0.578 . . . . 74.53 112.561 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -75.55 -51.15 13.58 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 122.991 0.516 . . . . 73.33 111.036 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 66.0 mt -68.46 -30.01 68.78 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 114.419 1.266 . . . . 75.11 114.419 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.587 ' HE3' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -71.65 -8.59 55.02 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 113.171 0.804 . . . . 72.42 113.171 175.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.484 ' HG3' ' HD2' ' A' ' 106' ' ' LYS . 45.3 mt-10 -116.54 -5.66 11.68 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.96 0.904 . . . . 73.32 112.332 171.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 49.6 mm -101.09 93.97 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 C-N-CA 123.086 0.554 . . . . 74.01 109.583 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.4 mtp85 -98.31 -59.65 1.71 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.43 0.692 . . . . 74.33 111.847 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -122.51 10.35 9.77 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.82 0.448 . . . . 72.21 110.819 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.07 102.57 9.4 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.335 0.654 . . . . 71.32 110.786 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.454 ' HE1' ' HA ' ' A' ' 112' ' ' MET . 4.2 tpt 66.75 11.86 8.49 Favored 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 124.839 1.255 . . . . 73.32 112.439 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.492 1.645 0 C-N-CA 123.958 0.903 . . . . 74.11 112.418 -175.532 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 120.443 0.163 . . . . 74.23 111.353 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -69.28 98.6 1.07 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.12 0.568 . . . . 74.14 111.115 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.1 ttm -86.19 118.38 70.3 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 123.099 0.56 . . . . 74.03 109.602 173.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -73.66 -164.99 0.23 Allowed 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.836 2.357 . . . . 72.22 112.981 -176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.87 119.78 57.81 Favored Pre-proline 0 CA--C 1.563 1.479 0 C-N-CA 122.889 0.476 . . . . 75.21 111.646 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.62 161.3 34.12 Favored 'Trans proline' 0 C--N 1.366 1.486 0 C-N-CA 122.095 1.863 . . . . 73.52 110.671 167.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 m -64.72 147.95 12.2 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.125 0 CA-C-O 121.012 0.434 . . . . 70.15 111.161 174.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.467 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 65.6 p -70.73 109.51 4.99 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.069 0.547 . . . . 71.44 110.234 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t -54.63 -41.84 70.51 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 124.204 1.002 . . . . 74.22 113.075 -173.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -138.06 169.19 18.22 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.56 0.744 . . . . 75.53 109.762 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.92 -18.96 38.22 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.211 1.005 . . . . 73.44 112.45 173.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.2 t -53.53 -61.05 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 124.054 0.942 . . . . 72.23 111.792 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 53.1 ttt180 -72.56 -34.68 67.65 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.908 0.483 . . . . 75.13 111.314 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 22.5 t-20 -60.75 -48.53 81.37 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.096 0.558 . . . . 74.01 111.506 -177.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -57.78 -35.73 71.19 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.736 0.814 . . . . 72.13 111.748 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.4 m -59.87 -53.24 60.26 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.381 0.672 . . . . 75.42 110.993 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -55.34 -43.24 74.78 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.194 0.998 . . . . 71.44 111.954 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 13.3 mm-40 -60.82 -47.22 87.33 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.861 0.864 . . . . 74.31 112.429 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.4 mtm -70.53 -30.98 67.87 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.404 0.682 . . . . 74.5 111.976 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.73 -42.2 91.33 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.929 0.491 . . . . 74.42 111.081 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -66.4 -39.94 89.33 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.034 0.533 . . . . 74.31 110.949 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.8 78.43 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.984 0.914 . . . . 71.31 111.62 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HB3' HG22 ' A' ' 67' ' ' ILE . . . -65.6 -39.06 91.14 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.531 0.732 . . . . 73.51 111.238 173.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.6 mt -74.26 -15.82 60.97 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.386 0.675 . . . . 74.11 112.329 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -115.98 14.41 16.11 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.043 0.937 . . . . 75.32 112.569 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 t -62.89 -40.85 98.81 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.593 0.59 . . . . 51.53 112.593 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -109.94 8.39 24.21 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.351 0.66 . . . . 73.45 110.753 169.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.4 m80 59.05 36.69 24.38 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.178 1.391 . . . . 74.43 111.487 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.91 -32.76 69.84 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.0 1.32 . . . . 70.41 113.105 -171.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -63.31 -23.96 67.65 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.322 0.649 . . . . 74.1 112.235 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.31 -51.81 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.678 0.791 . . . . 74.32 111.29 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.96 -33.91 69.37 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.657 0.783 . . . . 74.03 112.387 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.499 HG23 ' HA ' ' A' ' 84' ' ' CYS . 59.5 mt -84.09 -32.56 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 C-N-CA 123.415 0.686 . . . . 74.41 111.283 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.52 28.63 29.3 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 114.238 0.455 . . . . 41.53 114.238 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.69 147.07 37.56 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.806 0.842 . . . . 63.41 110.898 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -83.2 114.88 21.66 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.638 0.375 . . . . 73.53 110.48 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.0 p -73.43 -26.44 60.95 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.781 0.832 . . . . 75.24 112.893 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.94 -40.88 78.71 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.864 0.866 . . . . 74.54 112.132 -171.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -66.53 -34.25 77.48 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 115.683 -0.689 . . . . 73.0 111.246 174.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.78 -43.44 68.72 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.373 0.669 . . . . 65.44 111.336 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.3 p -65.81 -30.44 71.07 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.064 0.946 . . . . 73.32 111.87 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.58 -35.32 77.21 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.411 0.685 . . . . 74.24 111.582 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -74.69 -32.41 62.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.112 0.565 . . . . 70.45 111.624 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.95 -43.73 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 109.535 -0.542 . . . . 73.43 109.535 170.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HG3' HH21 ' A' ' 13' ' ' ARG . 11.2 tp10 -57.87 -50.37 73.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.628 1.171 . . . . 72.34 111.788 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.96 -40.13 96.75 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 111.967 0.358 . . . . 75.11 111.967 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.7 m -65.9 -42.73 89.83 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.233 0.613 . . . . 73.03 112.482 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.2 tt -73.78 -32.44 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.418 0 C-N-CA 122.425 0.29 . . . . 71.2 110.825 175.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.65 -25.93 68.17 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.131 0.972 . . . . 74.4 113.133 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -56.59 -66.12 0.49 Allowed 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.048 0.539 . . . . 73.33 111.676 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -90.41 -44.17 9.81 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.637 0.775 . . . . 54.22 112.182 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.2 t -92.24 -12.81 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 123.691 0.796 . . . . 70.01 112.232 -168.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.7 30.34 1.05 Allowed Glycine 0 CA--C 1.549 2.182 0 N-CA-C 116.24 1.256 . . . . 64.52 116.24 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -77.53 -5.98 52.0 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.701 1.2 . . . . 74.5 111.989 169.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.4 p 64.98 24.49 12.65 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 126.313 1.845 . . . . 74.51 113.491 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.22 168.49 18.14 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 123.83 0.852 . . . . 74.43 110.309 170.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.1 ptm -55.39 -26.02 38.98 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.595 0.758 . . . . 75.52 112.581 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -55.63 -50.68 69.53 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.315 0.646 . . . . 73.52 110.98 171.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -65.62 -46.09 80.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.209 1.004 . . . . 74.23 112.025 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -60.9 -51.36 69.59 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.449 0.7 . . . . 74.31 111.763 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -73.26 -27.35 61.52 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.556 -0.747 . . . . 74.31 111.879 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 1.3 tpm_? -68.26 -44.71 75.01 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 117.686 0.221 . . . . 71.42 110.43 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.4 -48.74 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.359 0.664 . . . . 75.2 110.417 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.502 ' HA ' HD11 ' A' ' 67' ' ' ILE . 47.8 mtm-85 -62.61 -34.19 76.52 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.059 0.544 . . . . 74.43 112.072 177.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.7 t -65.87 -42.51 90.25 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.268 0.627 . . . . 71.32 110.94 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.585 ' NH1' ' SD ' ' A' ' 100' ' ' MET . 33.6 mmt180 -54.89 -55.36 31.39 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.074 0.55 . . . . 61.23 109.625 175.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 64' ' ' ARG . 57.4 mt -52.45 -45.97 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 C-N-CA 124.593 1.157 . . . . 73.25 111.723 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 t -61.68 -42.51 99.02 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.947 0.899 . . . . 70.14 111.9 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -72.61 -34.33 67.3 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.279 0.632 . . . . 63.53 111.607 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 66' ' ' ARG . 96.0 mt -64.01 -41.08 97.59 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.599 0.76 . . . . 72.02 111.167 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -101.77 13.93 33.44 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.522 0.729 . . . . 74.23 112.34 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.0 145.2 56.66 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.267 0.627 . . . . 73.54 112.321 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.11 79.58 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.471 0.708 . . . . 74.32 112.379 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.508 ' HB2' ' HZ2' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -93.39 -11.51 32.09 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.369 0.668 . . . . 75.43 111.466 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -139.79 60.82 16.66 Favored Pre-proline 0 CA--C 1.576 1.974 0 C-N-CA 124.221 1.008 . . . . 74.34 111.114 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -75.95 -33.06 3.93 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 122.448 2.099 . . . . 71.54 113.421 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -73.02 -14.64 61.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.424 1.09 . . . . 72.23 112.735 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 100' ' ' MET . 53.7 tp -52.51 -46.65 66.74 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.966 0.906 . . . . 74.25 112.732 -174.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -67.66 -37.58 82.58 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.35 0.66 . . . . 73.22 111.743 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -71.88 -27.69 63.02 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.602 1.161 . . . . 62.11 111.243 -172.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.75 -34.78 77.51 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.844 0.857 . . . . 73.12 110.831 174.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.3 t -67.41 -43.25 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 CA-C-O 121.433 0.635 . . . . 73.54 110.024 172.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.13 -24.84 64.15 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.27 1.028 . . . . 75.11 112.255 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.499 ' HA ' HG23 ' A' ' 33' ' ' ILE . 38.9 t -85.03 -10.0 57.42 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.865 0.866 . . . . 70.22 111.797 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.12 18.85 62.04 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.522 -0.308 . . . . 74.24 113.789 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.3 -58.67 2.5 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.585 0.754 . . . . 65.13 110.778 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.5 mt -91.51 132.46 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.506 0.723 . . . . 64.02 109.636 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.7 p -82.87 150.94 63.17 Favored Pre-proline 0 N--CA 1.487 1.414 0 CA-C-N 117.569 0.168 . . . . 73.2 110.873 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -48.05 -36.59 28.41 Favored 'Trans proline' 0 C--N 1.379 2.158 0 C-N-CA 123.611 2.874 . . . . 74.04 115.345 174.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -70.7 -40.43 72.86 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 119.147 -0.454 . . . . 73.3 111.552 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -56.97 -53.2 60.75 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 122.917 0.487 . . . . 74.11 111.225 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.7 tp -67.5 -22.97 29.26 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.686 0 CA-C-N 115.954 -0.566 . . . . 74.41 111.69 -177.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.31 -32.59 26.26 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.879 0.871 . . . . 73.22 113.264 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.17 -34.96 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 112.367 0.506 . . . . 75.2 112.367 -175.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.3 mtm -66.87 145.09 55.84 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 122.553 0.341 . . . . 74.15 110.993 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.9 p -73.76 158.96 33.66 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.574 0.349 . . . . 63.52 110.373 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.2 t -57.64 -30.82 65.7 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.28 0.632 . . . . 72.33 111.682 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -64.57 -40.7 96.02 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.971 0.909 . . . . 72.23 111.771 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.11 -30.35 58.22 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.541 0.736 . . . . 74.41 111.931 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.585 ' SD ' ' NH1' ' A' ' 66' ' ' ARG . 82.5 mtp -67.07 -42.67 84.32 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.029 0.931 . . . . 74.44 111.286 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.65 -32.59 28.14 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.432 0.693 . . . . 72.52 112.036 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.9 m 63.02 126.76 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 125.773 1.629 . . . . 71.01 113.75 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.25 -33.24 75.53 Favored 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 123.579 0.751 . . . . 62.32 112.694 -175.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.13 -42.02 89.69 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.055 0.542 . . . . 65.11 110.584 173.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.13 -0.84 26.43 Favored 'General case' 0 CA--C 1.561 1.367 0 C-N-CA 124.194 0.998 . . . . 74.13 112.674 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -72.23 -31.52 65.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.8 -0.563 . . . . 74.51 111.401 166.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -107.14 -41.04 5.25 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.494 0.718 . . . . 73.12 112.034 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.9 mm -71.72 -45.21 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 123.056 0.542 . . . . 74.31 110.582 173.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 56.66 -90.87 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.075 1.35 . . . . 74.23 112.182 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -134.17 92.42 2.94 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.015 0.926 . . . . 71.23 109.002 176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.71 -6.13 42.4 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.849 0.86 . . . . 74.23 112.082 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 51.1 tpp -66.51 107.84 2.21 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 124.095 0.958 . . . . 75.03 110.779 171.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 CA--C 1.566 1.571 0 C-N-CA 123.389 0.676 . . . . 62.31 111.21 -178.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 111.252 0.093 . . . . 73.54 111.252 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -68.33 93.12 0.45 Allowed 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 122.168 0.985 . . . . 72.24 111.831 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.4 mtt -119.84 128.63 25.77 Favored Pre-proline 0 CA--C 1.552 1.04 0 CA-C-N 115.117 -0.947 . . . . 72.34 109.665 175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.53 141.2 94.74 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.337 2.025 . . . . 75.41 110.923 170.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.4 t -52.88 105.44 0.53 Allowed Pre-proline 0 N--CA 1.495 1.801 0 C-N-CA 124.135 0.974 . . . . 74.02 112.228 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -75.34 179.61 6.0 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 123.077 2.518 . . . . 62.22 114.834 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.6 m -93.24 168.05 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 124.726 1.21 . . . . 75.1 112.785 -173.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.7 m -60.48 116.72 4.53 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.834 0.854 . . . . 65.1 111.919 175.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.9 m -106.55 122.44 46.32 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.021 0.929 . . . . 64.43 110.116 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 64.48 9.19 4.82 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 114.953 1.464 . . . . 74.21 114.953 172.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.6 -21.43 0.19 Allowed 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 125.489 1.516 . . . . 53.35 114.836 -178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -62.32 -47.12 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 124.217 1.007 . . . . 74.44 111.657 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HE ' ' HB2' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -70.93 -29.49 65.54 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.218 -0.901 . . . . 72.34 112.157 -178.482 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.59 -38.27 90.43 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.718 0.407 . . . . 74.31 110.414 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -63.48 -44.17 95.17 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.644 0.59 . . . . 73.11 111.145 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.8 t -57.09 -49.99 74.18 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.748 0.419 . . . . 71.2 111.335 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -59.63 -50.56 73.41 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.977 0.911 . . . . 74.31 112.27 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.4 -33.25 74.79 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 112.439 0.533 . . . . 64.02 112.439 -175.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.427 ' HB3' HD13 ' A' ' 67' ' ' ILE . 51.3 mtm -75.25 -38.89 60.32 Favored 'General case' 0 CA--C 1.562 1.417 0 N-CA-C 112.663 0.616 . . . . 75.21 112.663 177.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.61 -37.55 87.77 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 123.074 0.55 . . . . 74.3 110.416 171.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.0 m -64.64 -42.02 95.73 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.002 0.921 . . . . 75.14 110.814 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.91 -30.84 71.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.928 0.891 . . . . 73.21 111.77 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB3' HG23 ' A' ' 67' ' ' ILE . . . -64.34 -41.45 96.77 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.068 0.547 . . . . 71.13 110.94 171.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -76.38 -8.85 57.99 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.469 0.708 . . . . 74.34 112.377 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -115.1 -7.46 12.47 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 124.18 0.992 . . . . 74.13 112.952 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 t -65.11 -29.32 70.17 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 112.778 0.659 . . . . 75.01 112.778 -169.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -108.85 -3.39 17.7 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.167 0.987 . . . . 64.15 110.543 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.4 m80 62.28 25.57 15.29 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 124.672 1.189 . . . . 74.43 110.291 -163.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -59.81 -39.08 83.82 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.889 1.676 . . . . 64.34 112.86 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -67.62 -32.32 72.96 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 112.012 0.375 . . . . 72.0 112.012 176.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -69.06 -43.22 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 C-N-CA 123.329 0.652 . . . . 73.4 110.68 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.75 -31.07 69.85 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.243 -0.89 . . . . 73.13 112.316 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.4 mt -85.68 -28.48 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.164 0.586 . . . . 73.32 111.803 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.32 56.13 3.08 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-O 120.921 0.178 . . . . 74.13 112.968 -175.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.61 136.32 50.52 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.138 0.975 . . . . 53.53 111.408 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.446 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 7.1 m-20 -74.58 92.3 2.39 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.375 0.67 . . . . 65.21 110.303 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.9 p -63.05 -52.06 64.29 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.095 1.146 . . . . 71.44 114.095 -166.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.38 -25.45 66.79 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 111.858 0.318 . . . . 65.34 111.858 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -74.24 -43.42 57.11 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.437 1.095 . . . . 70.01 111.614 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD13 HD23 ' A' ' 83' ' ' LEU . 42.6 mt -66.14 -51.16 60.48 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.754 -0.462 . . . . 71.22 109.754 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -58.1 -30.78 66.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.871 1.268 . . . . 74.15 112.574 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 46' ' ' GLU . . . -65.11 -57.32 8.9 Favored 'General case' 0 C--O 1.209 -1.069 0 N-CA-C 109.638 -0.505 . . . . 74.12 109.638 171.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.443 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . 46.5 mt-30 -57.44 -25.6 59.91 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 123.526 0.73 . . . . 73.32 112.699 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.443 HG21 ' HA ' ' A' ' 93' ' ' ALA . 90.8 mt -74.67 -49.04 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.379 0 C-N-CA 123.974 0.91 . . . . 75.23 111.047 168.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.494 ' HA ' HG23 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -67.18 -47.23 71.58 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.489 0.716 . . . . 75.14 111.859 -171.697 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 42' ' ' ALA . 3.1 mm-40 -52.66 -34.76 53.07 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.113 0.565 . . . . 70.41 111.061 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.9 m -77.17 -50.28 13.31 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.45 0.7 . . . . 72.45 112.756 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.494 HG23 ' HA ' ' A' ' 45' ' ' GLU . 12.5 tt -66.79 -25.78 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 122.065 -0.397 . . . . 74.43 111.042 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.66 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 62.0 t80 -70.22 -27.81 64.77 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.699 0.799 . . . . 75.51 111.476 175.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -71.43 -54.8 9.47 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.466 0.306 . . . . 73.43 110.993 173.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.37 -56.6 4.84 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.969 0.729 . . . . 73.02 112.969 -173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.76 -21.4 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 C-N-CA 123.126 0.57 . . . . 75.23 111.704 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.66 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -76.41 33.01 1.36 Allowed Glycine 0 N--CA 1.476 1.318 0 N-CA-C 116.561 1.384 . . . . 72.41 116.561 -169.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -73.92 3.07 7.27 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 123.312 0.645 . . . . 75.22 111.727 170.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p 58.47 24.25 11.61 Favored 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 126.172 1.789 . . . . 74.54 113.339 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -73.96 -58.02 3.58 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 123.909 0.884 . . . . 71.45 112.69 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.3 ttm -172.59 -61.9 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.033 0.933 . . . . 73.42 110.394 -175.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -57.05 -31.8 65.55 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.006 0.922 . . . . 75.31 112.664 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.8 t80 -53.49 -54.39 37.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.443 1.097 . . . . 74.01 112.094 176.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.46 -35.97 82.64 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.942 -0.572 . . . . 74.52 112.011 -175.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -75.26 -33.22 61.26 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.098 0.559 . . . . 65.13 111.896 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -61.06 -46.23 91.52 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.257 0.623 . . . . 75.44 110.853 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 59' ' ' TYR . 53.9 t -63.23 -49.45 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 O-C-N 123.971 0.794 . . . . 72.15 110.921 178.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -51.17 -50.34 59.18 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 123.928 0.891 . . . . 71.34 112.497 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.7 t -69.91 -35.42 74.57 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.964 -0.562 . . . . 65.13 111.995 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -64.52 -48.35 75.44 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.068 0.547 . . . . 73.3 111.069 -175.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.677 HG21 ' HE3' ' A' ' 71' ' ' LYS . 58.8 mt -58.78 -41.72 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.67 1.188 . . . . 74.21 111.14 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -63.6 -35.79 81.66 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 115.706 -0.679 . . . . 73.33 111.725 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -75.49 -29.68 59.63 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.789 0.835 . . . . 62.4 111.785 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.69 -54.47 19.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.245 0.618 . . . . 72.24 110.781 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.677 ' HE3' HG21 ' A' ' 67' ' ' ILE . 18.8 ptpt -80.36 4.77 16.83 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.721 0.808 . . . . 73.2 112.381 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.63 129.62 40.5 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.89 0.876 . . . . 73.05 111.733 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.82 -23.36 59.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.497 0.719 . . . . 74.22 112.002 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -76.33 -30.9 57.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.123 0.569 . . . . 75.3 111.348 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -140.73 77.72 21.72 Favored Pre-proline 0 CA--C 1.562 1.442 0 C-N-CA 123.216 0.606 . . . . 72.31 111.127 173.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -83.4 -13.81 8.43 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.619 2.212 . . . . 74.51 112.841 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.51 -24.2 65.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.326 1.05 . . . . 72.05 112.468 174.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.407 HD22 ' SD ' ' A' ' 100' ' ' MET . 38.0 tp -54.26 -41.8 69.21 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.364 0.666 . . . . 73.51 111.455 175.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -73.78 -49.18 26.63 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.017 0.527 . . . . 74.34 111.662 171.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -56.87 -39.6 74.62 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.382 0.882 . . . . 72.41 113.382 -171.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -68.28 -33.92 75.22 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.898 0.479 . . . . 75.34 112.053 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.4 t -75.31 -41.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-O 121.115 0.483 . . . . 74.15 110.854 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.464 HD23 HD13 ' A' ' 40' ' ' LEU . 86.7 mt -66.78 -35.16 79.44 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.994 0.918 . . . . 74.44 112.134 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.5 m -81.57 -6.02 58.58 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.467 0.707 . . . . 75.13 112.275 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.76 21.47 68.7 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 114.499 0.56 . . . . 72.1 114.499 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.92 -61.17 1.97 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.673 0.789 . . . . 73.04 111.093 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.427 HD13 ' HE1' ' A' ' 95' ' ' MET . 55.9 mt -84.95 119.45 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 109.215 -0.661 . . . . 75.12 109.215 175.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.5 p -74.82 146.44 82.93 Favored Pre-proline 0 CA--C 1.558 1.276 0 CA-C-O 119.301 -0.381 . . . . 60.13 111.351 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.443 ' HB3' ' HB3' ' A' ' 43' ' ' GLN . 11.6 Cg_exo -39.01 -42.87 2.17 Favored 'Trans proline' 0 C--N 1.385 2.473 0 C-N-CA 125.214 3.942 . . . . 75.42 116.95 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -46.91 72.98 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.988 0.515 . . . . 75.54 110.193 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -62.12 -52.98 61.7 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.805 0.842 . . . . 74.25 111.88 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.6 tp -61.08 -43.41 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 122.937 0.495 . . . . 74.23 111.843 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.443 ' HA ' HG21 ' A' ' 44' ' ' ILE . . . -54.26 -45.96 72.53 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.432 0.693 . . . . 74.22 112.801 -176.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 m -97.02 -3.31 10.13 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 113.16 0.8 . . . . 74.11 113.16 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.514 ' HE2' ' HG2' ' A' ' 100' ' ' MET . 40.1 ttp -68.69 129.81 41.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.819 0.448 . . . . 72.51 111.863 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.1 p -78.87 163.58 25.18 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.742 0.817 . . . . 74.32 112.219 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.1 p -59.51 -29.28 67.75 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 123.758 0.823 . . . . 71.24 112.297 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -62.44 -50.7 70.43 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.342 1.057 . . . . 75.13 110.975 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -72.99 -31.73 64.7 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 114.721 -1.127 . . . . 73.33 112.67 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.514 ' HG2' ' HE2' ' A' ' 95' ' ' MET . 66.7 mtm -69.52 -30.5 68.36 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.754 0.422 . . . . 74.3 111.544 177.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.06 -2.57 52.68 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.425 0.69 . . . . 73.43 112.178 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.3 t -146.2 94.08 2.41 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 121.355 0.597 . . . . 74.23 111.626 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -68.3 -17.24 64.22 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.975 0.91 . . . . 74.34 111.888 171.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -61.77 -57.43 11.92 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.394 1.078 . . . . 63.5 111.545 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.52 -11.73 46.29 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 113.973 1.101 . . . . 75.55 113.973 -174.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -59.49 -48.33 82.07 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.115 0.966 . . . . 70.44 112.795 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -108.3 2.71 22.82 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 112.351 0.5 . . . . 73.45 112.351 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 49.9 mm -84.91 85.2 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 108.35 -0.982 . . . . 71.44 108.35 168.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -133.88 -51.94 0.85 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.986 0.914 . . . . 73.43 111.278 -171.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -63.37 -50.74 68.75 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.006 0.522 . . . . 74.44 110.244 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.53 87.7 3.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.78 0.832 . . . . 73.23 109.385 173.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 24.6 ttt -148.7 117.5 6.67 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 122.853 0.461 . . . . 74.24 111.084 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 N--CA 1.492 1.639 0 C-N-CA 124.035 0.934 . . . . 73.43 110.31 176.171 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 120.638 0.256 . . . . 73.43 111.654 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -89.67 152.89 21.13 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.454 0.702 . . . . 72.41 111.208 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.453 ' N ' ' SD ' ' A' ' 3' ' ' MET . 1.3 mpt? -75.23 109.31 7.27 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 123.328 0.651 . . . . 73.43 109.276 172.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -67.06 178.8 2.68 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.598 2.199 . . . . 44.32 113.591 -173.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.1 t -68.39 114.68 23.19 Favored Pre-proline 0 CA--C 1.564 1.481 0 C-N-CA 123.514 0.725 . . . . 74.41 111.168 -173.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.742 ' HD2' ' HB3' ' A' ' 46' ' ' GLU . 38.2 Cg_exo -61.39 176.44 1.15 Allowed 'Trans proline' 0 C--N 1.384 2.402 0 C-N-CA 123.238 2.625 . . . . 63.34 114.725 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 m -103.49 166.19 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.175 0.99 . . . . 74.4 111.143 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.499 ' HA ' ' NH1' ' A' ' 13' ' ' ARG . 81.7 p -75.08 138.33 42.04 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.062 0.545 . . . . 74.42 111.75 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.3 t -89.81 -65.39 1.02 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.025 0.53 . . . . 73.13 111.36 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -144.3 167.6 22.06 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.648 0.779 . . . . 73.01 110.076 -173.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.96 -18.26 44.13 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.392 1.077 . . . . 71.2 113.796 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.3 t -57.77 -61.33 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.916 0.486 . . . . 73.44 111.005 173.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' NH1' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -72.06 -34.41 68.72 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.314 -0.403 . . . . 74.22 111.192 -179.766 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.7 t-20 -55.98 -50.82 69.75 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.768 0.427 . . . . 72.42 111.511 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.39 -33.24 75.49 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 123.509 0.506 . . . . 75.42 111.795 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.2 m -64.15 -41.14 97.3 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.802 0.441 . . . . 64.23 111.613 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -59.05 -45.35 90.97 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.277 0.631 . . . . 64.14 110.876 171.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 25.0 mm-40 -61.0 -34.41 74.76 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.807 0.443 . . . . 75.34 111.98 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.4 mtm -75.69 -30.85 59.49 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.0 0.52 . . . . 72.03 112.187 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.09 -38.2 85.29 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.882 0.473 . . . . 73.53 110.38 171.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 m -64.26 -42.05 96.65 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.822 0.849 . . . . 74.13 110.353 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.0 71.64 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.909 0.884 . . . . 75.21 112.041 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.436 ' HB1' HG22 ' A' ' 67' ' ' ILE . . . -69.99 -43.53 71.27 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.467 0.707 . . . . 74.34 111.091 171.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 95.7 mt -77.08 -9.29 58.63 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 113.284 0.846 . . . . 74.23 113.284 -178.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -122.61 18.3 10.39 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.502 0.721 . . . . 75.45 111.148 175.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 t -58.17 -26.66 63.02 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 123.794 0.837 . . . . 74.33 113.155 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -127.02 9.57 6.85 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.51 0.724 . . . . 72.14 110.563 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 m80 57.35 23.23 8.66 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.203 1.001 . . . . 74.34 110.921 -166.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.64 -24.48 66.75 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.157 1.783 . . . . 74.04 114.238 -169.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.4 ' HA ' HD11 ' A' ' 83' ' ' LEU . 12.7 p80 -57.78 -27.89 63.49 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.376 0.67 . . . . 73.34 112.564 174.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -66.65 -38.66 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 C-N-CA 123.955 0.902 . . . . 75.2 111.732 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.78 -31.25 68.22 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.089 0.955 . . . . 75.13 112.897 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.451 HD12 ' SG ' ' A' ' 84' ' ' CYS . 67.4 mt -101.04 -23.62 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 123.99 0.916 . . . . 71.02 110.956 178.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.72 27.63 41.52 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-N 116.344 -0.389 . . . . 73.21 113.766 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.06 151.25 21.1 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.965 0.906 . . . . 75.31 112.661 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -90.11 88.57 7.32 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.76 0.824 . . . . 74.15 109.753 174.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.494 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 26.7 p -68.91 -38.73 79.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.976 0.91 . . . . 73.35 113.435 -170.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -33.47 75.26 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 122.59 0.356 . . . . 74.52 111.625 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -68.27 -42.68 79.23 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.537 0.735 . . . . 75.43 109.696 174.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 44' ' ' ILE . 96.3 mt -58.3 -45.97 87.0 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.915 0.486 . . . . 75.32 111.106 174.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -56.41 -41.01 75.62 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.269 1.028 . . . . 73.43 112.509 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -47.11 87.44 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.851 -0.613 . . . . 71.32 111.409 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -63.85 -44.92 91.71 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.593 0.757 . . . . 75.3 112.271 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 40' ' ' LEU . 85.2 mt -60.38 -50.92 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.111 0.964 . . . . 74.02 110.66 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -62.58 -48.46 79.38 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.843 -0.617 . . . . 64.4 111.498 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.742 ' HB3' ' HD2' ' A' ' 6' ' ' PRO . 28.3 mm-40 -62.67 -31.76 72.7 Favored 'General case' 0 CA--C 1.556 1.178 0 N-CA-C 113.216 0.821 . . . . 73.2 113.216 -176.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.8 m -62.03 -50.04 73.59 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.814 0.446 . . . . 64.22 112.104 172.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.594 ' HB ' ' HB2' ' A' ' 93' ' ' ALA . 10.3 tt -77.56 -25.17 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 C-N-CA 123.101 0.56 . . . . 71.12 111.572 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -62.21 -30.75 71.3 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.401 1.08 . . . . 74.15 112.63 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -57.54 -50.02 74.44 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 123.624 0.77 . . . . 74.35 111.984 -174.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -90.02 -55.51 3.59 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.562 0.696 . . . . 72.31 112.268 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.46 HG12 ' HE2' ' A' ' 58' ' ' LYS . 77.0 t -79.71 -25.26 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 124.072 0.949 . . . . 73.24 112.891 -167.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.18 24.28 1.11 Allowed Glycine 0 CA--C 1.545 1.95 0 N-CA-C 115.751 1.061 . . . . 61.23 115.751 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.463 HD22 ' HD3' ' A' ' 58' ' ' LYS . 25.8 p30 -66.31 -17.21 64.62 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.059 1.344 . . . . 64.22 112.063 166.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p 60.71 20.3 10.33 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 126.062 1.745 . . . . 74.44 114.224 172.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -66.35 -66.64 0.53 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.761 0.424 . . . . 74.32 111.328 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -153.14 -42.37 0.1 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 122.935 0.494 . . . . 74.21 111.487 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 62' ' ' ARG . 21.4 ptmt -52.83 -46.31 67.71 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.478 0.711 . . . . 74.14 112.198 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 87.2 t80 -56.68 -45.26 81.83 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.071 0.948 . . . . 74.14 112.534 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 10.7 mmpt? -55.73 -44.97 78.01 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.68 0.792 . . . . 74.04 111.654 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -69.58 -39.72 77.14 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.805 -0.634 . . . . 71.2 111.652 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 24.4 mmt85 -66.71 -33.86 76.58 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 122.782 0.433 . . . . 74.24 111.737 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 81.0 t -64.16 -48.77 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.189 0.596 . . . . 63.11 110.733 174.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -58.53 -45.17 89.42 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.704 0.401 . . . . 73.5 111.229 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.3 m -62.99 -38.63 91.95 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.964 0.905 . . . . 74.32 111.746 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -67.88 -52.83 32.0 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.655 0.382 . . . . 75.34 110.711 -178.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.436 HG22 ' HB1' ' A' ' 23' ' ' ALA . 93.8 mt -54.69 -43.43 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 124.504 1.122 . . . . 72.33 111.392 175.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.7 t -57.58 -49.75 75.39 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.003 0.921 . . . . 72.1 111.903 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.439 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 13.4 m120 -67.68 -31.85 72.1 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.193 0.597 . . . . 73.42 112.225 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.97 -40.72 91.5 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.013 0.525 . . . . 71.13 111.511 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 18.8 ptpt -102.31 14.91 30.7 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 123.4 0.68 . . . . 75.15 112.098 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 27.1 t70 -65.31 141.06 58.72 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.641 0.776 . . . . 74.25 112.514 -173.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.88 -19.16 27.74 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.432 0.693 . . . . 73.44 112.353 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -88.91 -23.17 22.79 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.007 0.523 . . . . 72.11 111.325 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.489 HD21 ' HB2' ' A' ' 78' ' ' LEU . 5.2 t30 -143.92 73.21 16.7 Favored Pre-proline 0 CA--C 1.569 1.684 0 C-N-CA 123.291 0.636 . . . . 73.25 109.619 174.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.27 -26.25 9.15 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 123.615 2.877 . . . . 73.32 114.171 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -66.01 -18.15 65.15 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.059 0.944 . . . . 73.44 113.198 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.489 ' HB2' HD21 ' A' ' 75' ' ' ASN . 22.7 tp -52.34 -52.45 53.25 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.344 1.058 . . . . 71.5 112.598 -175.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.404 ' HG3' HD23 ' A' ' 24' ' ' LEU . 37.8 ttp-105 -58.6 -41.35 85.6 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.745 -1.116 . . . . 73.22 111.241 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -69.17 -32.65 72.12 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.458 1.103 . . . . 75.04 111.86 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -70.24 -34.92 73.44 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.368 0.667 . . . . 62.33 111.614 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.84 -40.94 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.118 0.567 . . . . 75.14 110.443 173.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 30' ' ' HIS . 71.9 mt -63.77 -35.79 81.75 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.634 0.773 . . . . 70.11 111.98 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.451 ' SG ' HD12 ' A' ' 33' ' ' ILE . 86.4 m -80.89 -13.67 58.7 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.337 0.655 . . . . 62.43 112.444 177.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.86 75.35 Favored Glycine 0 N--CA 1.476 1.306 0 N-CA-C 114.079 0.392 . . . . 72.13 114.079 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.35 -38.81 78.29 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.44 0.696 . . . . 71.21 110.682 173.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 55.8 mt -103.66 129.28 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.846 0.858 . . . . 74.34 109.797 175.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.4 p -78.4 151.97 78.23 Favored Pre-proline 0 N--CA 1.486 1.345 0 C-N-CA 122.935 0.494 . . . . 64.22 110.986 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -50.54 -34.41 42.42 Favored 'Trans proline' 0 C--N 1.382 2.317 0 C-N-CA 123.433 2.756 . . . . 74.41 114.249 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -67.73 -44.86 76.59 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.742 0.817 . . . . 74.31 111.494 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -55.35 22.07 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.35 0.66 . . . . 64.32 111.947 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.4 tp -63.96 -34.63 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 C-N-CA 123.086 0.554 . . . . 63.13 112.253 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.594 ' HB2' ' HB ' ' A' ' 48' ' ' ILE . . . -59.2 -48.75 80.46 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.05 0.54 . . . . 73.33 112.395 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.2 m -99.13 8.61 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.468 0.707 . . . . 73.41 112.027 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 59.7 ttm -63.83 128.37 35.51 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.121 0.568 . . . . 75.53 111.918 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.1 p -89.6 160.37 16.7 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.188 0.595 . . . . 70.12 110.803 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.8 p -59.04 -36.22 74.66 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 124.052 0.941 . . . . 72.32 112.456 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.45 -50.21 64.13 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.264 1.026 . . . . 64.43 110.844 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.21 -40.85 94.71 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.898 1.279 . . . . 73.15 111.909 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -66.9 -53.94 27.15 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.907 1.283 . . . . 75.3 111.681 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.53 6.84 19.04 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.791 0.836 . . . . 63.43 113.231 -174.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.8 t -70.37 108.74 4.38 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 111.952 0.353 . . . . 74.5 111.952 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -66.2 -22.15 66.34 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.522 0.729 . . . . 63.51 112.451 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -78.65 -51.53 9.73 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.324 0.65 . . . . 75.54 111.505 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 41.7 mt -69.39 -3.5 14.52 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 114.51 1.3 . . . . 73.35 114.51 -170.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -54.02 -36.23 62.79 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.37 1.068 . . . . 73.42 112.328 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -128.6 15.68 6.49 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.454 0.701 . . . . 71.5 112.433 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.9 mm -89.99 116.16 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 122.015 -0.428 . . . . 75.22 110.241 176.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -73.49 118.52 16.54 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.805 0.842 . . . . 75.54 110.669 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? 72.96 -62.78 0.46 Allowed 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 125.901 1.68 . . . . 74.21 111.091 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 78.82 -49.61 0.44 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 125.577 1.551 . . . . 51.34 113.916 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 49.5 ttm -70.0 -69.36 0.36 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.528 0.731 . . . . 71.12 111.828 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 35.5 p . . . . . 0 CA--C 1.564 1.516 0 C-N-CA 123.929 0.892 . . . . 74.33 111.129 -176.446 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 110.201 -0.296 . . . . 61.05 110.201 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -157.08 138.33 13.73 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.673 0.789 . . . . 73.31 109.997 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.1 mtt 62.92 91.55 0.08 OUTLIER Pre-proline 0 N--CA 1.485 1.291 0 C-N-CA 124.491 1.116 . . . . 74.53 111.486 -171.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.24 156.15 59.63 Favored 'Trans proline' 0 C--N 1.372 1.791 0 C-N-CA 122.651 2.234 . . . . 74.12 112.353 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.0 m -77.21 151.83 81.49 Favored Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 122.817 0.447 . . . . 74.12 111.26 176.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -73.18 156.16 51.45 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 122.459 2.106 . . . . 73.03 113.168 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.98 166.92 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 115.078 -0.965 . . . . 75.3 110.013 169.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.4 m -61.1 100.33 0.12 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 122.919 0.488 . . . . 71.21 110.546 175.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.8 m -61.53 -51.57 68.05 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.935 0.894 . . . . 74.13 111.821 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -158.4 -173.88 4.52 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 114.992 -1.004 . . . . 74.51 111.045 -173.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.99 87.49 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.768 0.827 . . . . 73.3 112.821 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 HG13 ' HG ' ' A' ' 16' ' ' CYS . 8.8 t -71.17 -47.39 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 122.86 0.464 . . . . 74.44 110.228 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -60.38 -34.63 74.17 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.545 -0.752 . . . . 74.5 111.76 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.39 -55.46 34.75 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.506 0.723 . . . . 73.4 110.692 176.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 9.7 mptt -69.33 -43.54 73.49 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.148 -0.933 . . . . 74.4 112.224 -175.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.469 ' HG ' HG13 ' A' ' 12' ' ' VAL . 79.9 m -61.72 -42.51 99.05 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.913 0.485 . . . . 73.35 111.682 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.432 HH21 ' HG2' ' A' ' 38' ' ' GLU . 77.7 ttt180 -64.39 -51.39 63.48 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.996 0.518 . . . . 75.32 111.862 176.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 15' ' ' LYS . 12.1 pt-20 -68.11 -32.75 73.27 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 112.433 0.531 . . . . 75.42 112.433 -175.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.605 ' SD ' HD11 ' A' ' 67' ' ' ILE . 22.5 ptp -75.8 -32.27 59.81 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 112.504 0.557 . . . . 75.44 112.504 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.03 -38.46 72.6 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 110.13 -0.322 . . . . 75.05 110.13 171.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.433 HG23 HE21 ' A' ' 25' ' ' GLN . 54.0 m -62.59 -35.53 79.82 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.361 0.664 . . . . 71.42 110.825 171.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.567 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -67.3 -36.04 80.69 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.095 0.958 . . . . 70.21 111.712 176.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.13 -27.85 67.66 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.588 0.755 . . . . 70.3 111.824 173.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -82.02 -29.43 31.99 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.509 0.723 . . . . 72.5 112.329 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.567 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 9.9 pt20 -103.33 12.36 35.52 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 123.691 0.797 . . . . 73.14 112.191 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -55.98 -37.67 69.39 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.135 0.974 . . . . 71.01 112.428 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.76 -87.99 0.45 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.427 0.691 . . . . 73.32 109.288 170.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -174.47 18.6 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 CA-C-N 118.601 0.637 . . . . 75.33 111.815 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.81 -40.89 76.81 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 125.461 1.504 . . . . 63.12 114.656 -162.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -63.9 -25.5 68.18 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.192 0.597 . . . . 74.53 112.167 -173.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.3 t -73.49 -48.01 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.509 0.724 . . . . 74.24 111.127 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.08 70.17 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.688 0.795 . . . . 73.22 112.585 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.514 HD13 ' HG3' ' A' ' 80' ' ' ARG . 70.4 mt -86.92 -31.48 6.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 123.606 0.763 . . . . 63.4 111.407 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.49 45.46 8.66 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 116.524 -0.307 . . . . 73.54 113.445 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.16 129.52 27.62 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.591 0.756 . . . . 63.45 110.251 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.66 117.39 9.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.201 0.6 . . . . 64.22 111.122 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.7 p -72.99 -21.98 60.76 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 113.221 0.822 . . . . 70.52 113.221 -175.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' HG2' HH21 ' A' ' 17' ' ' ARG . 39.4 tt0 -66.95 -48.55 68.23 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.068 0.547 . . . . 72.42 112.008 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -67.12 -35.06 78.93 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.462 0.705 . . . . 71.11 112.173 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' ILE . 79.8 mt -65.71 -47.16 76.31 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.204 0.601 . . . . 73.11 110.48 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.44 ' HA ' HD13 ' A' ' 44' ' ' ILE . 45.3 t -63.51 -31.4 72.55 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.042 0.937 . . . . 75.01 112.241 175.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.81 -40.56 88.1 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.53 0.732 . . . . 74.44 111.37 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -70.17 -31.23 68.61 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 116.337 -0.392 . . . . 63.02 111.731 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 41' ' ' SER . 76.6 mt -60.97 -43.41 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 122.761 0.424 . . . . 72.42 110.091 171.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.19 -41.26 78.99 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.068 0.947 . . . . 74.04 112.917 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.44 -51.39 63.37 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.057 0.543 . . . . 75.41 111.879 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.97 -34.94 79.62 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.456 -0.793 . . . . 73.41 112.604 -175.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 tt -77.51 -35.17 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 109.957 -0.386 . . . . 70.42 109.957 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.76 -28.2 69.81 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.621 0.769 . . . . 71.15 112.877 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 -70.31 -39.55 74.75 Favored 'General case' 0 CA--C 1.557 1.214 0 O-C-N 121.665 -0.647 . . . . 73.53 111.618 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -86.09 -38.69 17.53 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.526 0.73 . . . . 71.43 111.577 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.646 HG12 ' HD2' ' A' ' 58' ' ' LYS . 40.8 t -110.21 -9.8 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 124.42 1.088 . . . . 74.31 112.969 -163.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.63 5.01 0.19 Allowed Glycine 0 N--CA 1.489 2.193 0 N-CA-C 117.723 1.849 . . . . 72.2 117.723 -171.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -74.19 1.55 11.05 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 123.992 0.917 . . . . 73.24 111.596 165.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.1 p 61.25 -105.74 0.21 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.361 1.864 . . . . 65.13 111.369 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t70 60.06 -179.27 0.09 Allowed 'General case' 0 CA--C 1.578 2.04 0 CA-C-N 118.963 0.801 . . . . 72.5 111.713 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -22.92 64.09 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.508 -0.745 . . . . 72.02 111.732 169.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.646 ' HD2' HG12 ' A' ' 52' ' ' VAL . 2.6 tmtp? -56.5 -52.12 65.92 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.527 0.731 . . . . 75.43 110.406 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -65.93 -52.28 51.25 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.201 0.6 . . . . 75.14 111.92 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.02 -43.78 98.38 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.12 0.968 . . . . 74.25 112.907 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -76.51 -39.93 51.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.618 0.599 . . . . 75.23 112.618 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -66.12 -37.1 84.9 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.164 0.431 . . . . 75.31 112.164 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.426 HG12 ' SD ' ' A' ' 19' ' ' MET . 87.0 t -64.31 -55.22 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 122.535 0.334 . . . . 70.22 111.211 176.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -62.04 -31.82 72.26 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 112.24 0.459 . . . . 75.53 112.24 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 t -69.91 -49.21 54.35 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.595 0.758 . . . . 72.31 111.919 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -59.76 -31.43 69.65 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 112.949 0.722 . . . . 74.32 112.949 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.605 HD11 ' SD ' ' A' ' 19' ' ' MET . 69.0 mt -52.13 -50.22 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.211 0.604 . . . . 71.34 111.627 175.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.2 p -66.14 -37.3 85.35 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.24 0.616 . . . . 70.54 111.678 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.81 -40.87 92.28 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 123.947 0.899 . . . . 73.42 112.119 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.74 -44.22 82.08 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.616 0.766 . . . . 74.42 111.251 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HE3' HG21 ' A' ' 67' ' ' ILE . 18.2 ptpt -84.57 -2.68 57.74 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.012 0.745 . . . . 74.14 113.012 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -71.99 143.52 49.17 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 120.951 0.405 . . . . 65.24 111.454 -175.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.51 -17.11 61.77 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 113.268 0.84 . . . . 65.23 113.268 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -72.45 -46.58 54.34 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 122.727 0.411 . . . . 72.21 110.045 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 101' ' ' ALA . 2.1 m-20 -124.11 76.23 59.47 Favored Pre-proline 0 CA--C 1.566 1.596 0 C-N-CA 123.393 0.677 . . . . 64.03 111.823 178.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.12 -26.49 7.63 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 122.09 1.86 . . . . 70.14 111.59 166.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.629 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 4.3 m-20 -67.25 -18.47 65.23 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.905 0.882 . . . . 72.44 112.346 174.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.15 -55.94 28.5 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.168 0.587 . . . . 75.23 110.92 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -73.99 -34.59 64.25 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.068 -0.515 . . . . 75.4 110.827 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.629 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 15.9 ttt180 -58.78 -41.66 87.18 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.219 1.008 . . . . 74.41 112.053 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -69.32 -31.75 70.41 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.042 0.537 . . . . 72.12 111.755 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 87' ' ' ILE . 52.6 t -66.43 -42.41 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-O 121.343 0.592 . . . . 75.35 110.443 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 68.7 mt -69.91 -30.9 68.43 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.145 0.978 . . . . 74.44 112.026 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.8 t -85.89 -15.24 42.39 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.571 0.748 . . . . 75.21 111.781 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.41 8.56 77.47 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 114.451 0.54 . . . . 74.13 114.451 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.9 -54.75 13.81 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.452 0.701 . . . . 64.14 110.426 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 82' ' ' VAL . 79.7 mt -89.93 123.0 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 108.333 -0.988 . . . . 63.44 108.333 167.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.4 ' OG1' ' HG2' ' A' ' 91' ' ' GLN . 30.8 p -75.24 153.61 86.21 Favored Pre-proline 0 N--CA 1.48 1.053 0 C-N-CA 122.189 0.196 . . . . 74.54 110.979 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -52.07 -23.69 17.82 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 123.175 2.583 . . . . 75.34 114.13 170.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.52 -47.77 45.8 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.802 0.441 . . . . 74.02 111.06 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.4 ' HG2' ' OG1' ' A' ' 88' ' ' THR . 14.7 mm100 -60.41 -51.84 67.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.04 0.536 . . . . 75.13 111.571 -176.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.38 -23.14 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 N-CA-C 112.142 0.423 . . . . 74.42 112.142 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.36 -32.15 29.41 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.691 0.796 . . . . 74.55 112.762 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.7 m -95.54 -26.29 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 112.618 0.599 . . . . 75.24 112.618 -177.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 61.3 mtm -77.73 134.15 38.15 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.112 0.565 . . . . 75.21 111.495 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.4 p -76.38 165.56 24.66 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.139 0.575 . . . . 75.11 110.455 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 32.4 p -56.37 -23.27 36.59 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 124.338 1.055 . . . . 74.3 113.652 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -71.31 -43.58 66.82 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.465 0.706 . . . . 75.44 111.172 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -71.08 -35.4 71.86 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 123.952 0.901 . . . . 73.4 111.428 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 69.7 mtp -66.67 -29.11 69.04 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.252 1.021 . . . . 75.31 111.037 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.416 ' HA ' ' ND2' ' A' ' 75' ' ' ASN . . . -82.61 -28.31 30.89 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.399 0.68 . . . . 75.33 111.346 171.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.1 m 65.51 61.44 0.7 Allowed 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 125.41 1.484 . . . . 73.03 111.175 -176.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -51.19 -39.84 57.35 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 125.567 1.547 . . . . 74.31 114.099 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.92 -40.43 68.8 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.503 0.721 . . . . 74.25 111.285 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.402 ' HA ' ' HB ' ' A' ' 108' ' ' ILE . 3.3 mm? -69.44 -13.26 62.26 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 124.043 0.937 . . . . 74.14 112.363 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -72.22 -2.01 17.26 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 112.37 0.508 . . . . 71.23 112.37 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -126.34 -4.05 6.74 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.531 0.733 . . . . 73.32 111.686 170.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.435 HG22 ' HB1' ' A' ' 111' ' ' ALA . 49.4 mm -102.36 94.3 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 C-N-CA 123.392 0.677 . . . . 74.54 111.506 -174.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -119.31 -49.98 2.36 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 124.303 1.041 . . . . 72.13 109.748 169.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -58.93 -44.24 91.32 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.723 0.809 . . . . 71.52 111.11 176.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.435 ' HB1' HG22 ' A' ' 108' ' ' ILE . . . -84.79 171.57 12.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.101 0.561 . . . . 74.2 111.156 172.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.0 ptm -154.94 -171.81 3.97 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.077 0.951 . . . . 74.41 109.939 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 46.5 m . . . . . 0 N--CA 1.493 1.713 0 C-N-CA 124.369 1.067 . . . . 72.22 111.709 173.485 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.548 0.214 . . . . 71.5 111.09 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -91.94 -7.78 48.1 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 123.329 0.651 . . . . 64.34 112.196 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.477 ' N ' ' SD ' ' A' ' 3' ' ' MET . 0.5 OUTLIER -74.26 144.43 81.52 Favored Pre-proline 0 CA--C 1.56 1.327 0 C-N-CA 123.352 0.661 . . . . 73.31 112.069 -177.67 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.72 159.28 51.94 Favored 'Trans proline' 0 C--N 1.385 2.458 0 C-N-CA 123.041 2.494 . . . . 75.2 113.414 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.82 134.22 90.16 Favored Pre-proline 0 CA--C 1.564 1.484 0 C-N-CA 123.205 0.602 . . . . 74.35 111.993 -175.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -76.6 150.2 31.23 Favored 'Trans proline' 0 C--N 1.374 1.906 0 C-N-CA 122.773 2.316 . . . . 74.34 112.467 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.95 165.54 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 123.815 0.846 . . . . 74.43 111.982 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.0 m 74.29 153.07 0.14 Allowed 'General case' 0 N--CA 1.501 2.117 0 C-N-CA 125.092 1.357 . . . . 70.3 112.612 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.3 t -154.14 -168.66 3.02 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.581 0.752 . . . . 72.33 110.127 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -53.74 -60.38 3.38 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.381 1.072 . . . . 70.23 112.019 175.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -157.62 -64.2 0.09 Allowed 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 112.175 0.435 . . . . 73.1 112.175 -176.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.91 -59.46 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.776 0.83 . . . . 73.41 112.415 -170.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -61.62 -30.47 70.71 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.666 0.786 . . . . 71.32 111.629 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -63.42 -49.42 73.81 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.87 0.468 . . . . 74.52 110.878 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -71.8 -33.32 68.45 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.027 -0.533 . . . . 71.42 111.766 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -61.04 -47.36 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.032 0.533 . . . . 74.14 110.655 174.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -55.01 -45.68 75.14 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.219 1.008 . . . . 75.04 110.87 173.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -59.37 -48.92 79.81 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.638 0.775 . . . . 75.25 112.696 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.2 mtm -74.3 -33.93 63.36 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.633 0.773 . . . . 73.22 112.825 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.3 -41.59 76.58 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.755 0.422 . . . . 73.52 110.821 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -64.34 -36.8 85.3 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.086 0.554 . . . . 75.33 110.848 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.465 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -64.83 -34.82 79.27 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.713 0.805 . . . . 72.11 111.648 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB3' HG23 ' A' ' 67' ' ' ILE . . . -65.06 -37.4 87.45 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.532 0.733 . . . . 75.41 111.526 174.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.447 HD23 HD21 ' A' ' 70' ' ' LEU . 89.1 mt -76.99 -7.57 55.85 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.817 0.847 . . . . 75.04 113.073 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.465 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 3.7 pt20 -125.08 10.35 8.14 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.653 0.781 . . . . 75.21 111.932 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.7 t -58.1 -28.19 64.38 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.173 0.805 . . . . 75.42 113.173 -168.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -154.16 54.4 0.7 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.612 0.765 . . . . 74.43 109.244 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.9 m170 61.34 34.34 18.47 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.285 1.034 . . . . 72.13 113.327 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.52 -52.54 64.07 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.811 0.844 . . . . 75.02 111.539 -175.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -71.53 -26.24 62.57 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 116.027 -0.533 . . . . 75.11 112.135 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.28 -34.02 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.895 0.878 . . . . 73.23 111.385 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.8 72.79 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.783 0.833 . . . . 72.24 112.051 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.539 HD12 ' HD2' ' A' ' 80' ' ' ARG . 54.7 mt -98.94 -16.39 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.508 0 C-N-CA 124.06 0.944 . . . . 74.25 111.272 -178.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.88 14.34 82.26 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 122.85 0.262 . . . . 74.41 113.359 -174.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.41 ' HB2' HD11 ' A' ' 40' ' ' LEU . . . -77.18 138.22 39.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.261 1.024 . . . . 74.35 112.372 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.504 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 14.5 m-20 -78.73 93.5 4.94 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.889 0.476 . . . . 72.32 110.788 177.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.2 p -62.85 -22.46 66.7 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.628 0.771 . . . . 72.5 112.95 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.24 -52.77 64.25 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.022 0.929 . . . . 72.04 112.565 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.504 ' HE ' ' HB2' ' A' ' 36' ' ' ASP . 16.7 ptt180 -74.88 -35.82 62.28 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.611 0.364 . . . . 65.03 111.508 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 44' ' ' ILE . 94.9 mt -59.98 -46.17 90.31 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.066 0.547 . . . . 72.31 111.574 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.7 t -56.95 -46.99 81.74 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.203 1.001 . . . . 71.31 111.837 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.12 73.47 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.815 0.846 . . . . 72.43 112.303 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -77.15 -37.94 52.85 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.373 0.669 . . . . 75.45 112.757 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 40' ' ' LEU . 72.7 mt -61.83 -43.78 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-O 121.901 0.858 . . . . 75.22 109.377 172.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.38 -48.21 82.3 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 113.459 -1.7 . . . . 74.53 112.198 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.34 -33.54 76.07 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 112.078 0.399 . . . . 74.1 112.078 -174.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.3 m -69.07 -49.68 55.2 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.904 0.482 . . . . 73.55 111.182 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.488 ' HB ' ' HB2' ' A' ' 93' ' ' ALA . 15.6 tt -72.21 -24.34 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.483 0 C-N-CA 123.26 0.624 . . . . 75.21 111.673 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -62.19 -25.53 67.83 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.615 1.166 . . . . 71.24 112.82 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -55.03 -60.87 2.78 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.497 0.719 . . . . 75.13 112.239 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.37 -53.66 4.45 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.426 0.631 . . . . 74.43 111.688 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.464 HG12 ' HG3' ' A' ' 58' ' ' LYS . 47.7 t -85.24 -14.2 11.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 C-N-CA 124.254 1.022 . . . . 74.41 113.077 -169.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.99 31.8 1.3 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 115.587 0.995 . . . . 72.23 115.587 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -95.48 13.36 26.26 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 125.871 1.669 . . . . 72.43 112.278 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.2 p 56.32 19.34 3.9 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 125.584 1.554 . . . . 63.32 114.089 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.476 ' HB3' ' HG2' ' A' ' 58' ' ' LYS . 37.1 t70 -75.57 172.21 12.96 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.517 0.727 . . . . 73.34 110.974 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 82.2 mtp -56.17 -28.4 57.94 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.133 0.573 . . . . 73.51 112.277 172.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.476 ' HG2' ' HB3' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -62.31 -39.2 92.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.967 0.507 . . . . 71.15 110.687 173.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 84.0 t80 -70.24 -48.83 55.22 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.09 0.956 . . . . 75.04 111.019 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -60.61 -37.73 82.38 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.779 0.831 . . . . 73.45 111.502 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -69.08 -47.15 65.99 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.702 0.801 . . . . 74.12 110.545 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -61.04 -40.05 92.14 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.28 0.632 . . . . 75.4 111.924 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 67' ' ' ILE . 78.2 t -66.78 -56.34 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 122.937 0.495 . . . . 73.51 110.842 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HA ' HD11 ' A' ' 67' ' ' ILE . 15.4 ptm180 -60.28 -36.91 78.93 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 122.995 0.518 . . . . 74.12 112.37 -177.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.6 m -70.12 -41.56 73.8 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.174 0.59 . . . . 74.11 110.377 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -42.61 98.82 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.16 0.584 . . . . 72.02 111.204 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.526 HG23 ' HB3' ' A' ' 23' ' ' ALA . 81.4 mt -55.83 -47.77 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 124.261 1.024 . . . . 73.52 110.83 176.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -61.69 -36.39 80.74 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.623 0.769 . . . . 74.5 112.069 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -74.12 -32.45 63.19 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.494 0.718 . . . . 61.51 111.727 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.447 HD21 HD23 ' A' ' 24' ' ' LEU . 97.6 mt -74.34 -9.74 58.9 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.905 0.882 . . . . 75.55 111.804 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -124.4 14.55 8.91 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.61 0.764 . . . . 74.54 112.524 172.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -65.77 143.04 57.75 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 113.282 0.845 . . . . 74.35 113.282 -170.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.09 -30.98 20.71 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.356 1.062 . . . . 72.24 111.63 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -74.23 -31.72 62.7 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.427 0.691 . . . . 73.22 110.728 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.57 ' HB3' ' HB2' ' A' ' 78' ' ' LEU . 28.5 m-80 -121.92 78.57 40.98 Favored Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 124.596 1.158 . . . . 73.04 110.594 173.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.29 -28.86 12.0 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.321 2.014 . . . . 61.14 111.045 171.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.626 ' HB2' ' HD2' ' A' ' 106' ' ' LYS . 3.5 m-20 -70.91 -23.72 62.33 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.394 1.077 . . . . 63.25 111.59 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 75' ' ' ASN . 33.2 tp -63.1 -58.01 8.69 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.771 0.428 . . . . 71.41 110.471 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -64.71 -41.95 95.62 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.714 0.805 . . . . 64.44 111.564 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.539 ' HD2' HD12 ' A' ' 33' ' ' ILE . 28.5 tpt180 -54.93 -49.91 70.13 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.645 0.778 . . . . 75.12 111.728 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . 92.0 m-20 -75.74 -32.52 60.03 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 112.557 0.577 . . . . 74.24 112.557 -175.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 78' ' ' LEU . 75.4 t -62.47 -49.09 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 CA-C-N 118.583 0.629 . . . . 74.34 110.483 174.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.3 mt -68.46 -31.04 70.05 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 123.786 0.834 . . . . 74.31 111.9 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.0 t -82.01 -12.3 58.38 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.01 0.524 . . . . 75.51 112.146 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.26 6.27 84.44 Favored Glycine 0 CA--C 1.54 1.626 0 N-CA-C 114.449 0.539 . . . . 71.24 114.449 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' A' ' 81' ' ' ASN . . . -73.03 -47.84 41.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.498 0.719 . . . . 73.14 111.408 176.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.8 mt -88.03 123.35 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 109.037 -0.727 . . . . 62.12 109.037 168.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.6 p -75.38 149.84 84.51 Favored Pre-proline 0 CA--C 1.557 1.249 0 C-N-CA 123.061 0.544 . . . . 74.23 111.782 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -45.76 -36.34 14.69 Favored 'Trans proline' 0 C--N 1.381 2.259 0 C-N-CA 124.106 3.204 . . . . 73.34 115.588 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -29.51 60.89 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.5 0.556 . . . . 64.05 112.5 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.47 -60.24 2.73 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.664 0.386 . . . . 75.24 110.887 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.55 -26.81 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 123.132 0.573 . . . . 74.31 111.949 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.488 ' HB2' ' HB ' ' A' ' 48' ' ' ILE . . . -65.69 -43.72 88.38 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 123.018 0.527 . . . . 55.44 112.411 174.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.4 m -94.84 -18.62 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 N-CA-C 113.505 0.928 . . . . 74.44 113.505 -173.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 79.3 mtp -70.05 126.9 31.03 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 112.32 0.489 . . . . 74.51 112.32 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.0 p -92.15 177.2 6.23 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.071 0.948 . . . . 62.22 110.946 175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.8 p -61.36 -30.74 70.72 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.456 0.702 . . . . 75.34 111.251 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -61.8 -45.89 91.91 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.214 1.006 . . . . 63.23 111.035 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -70.2 -34.9 73.5 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.385 0.674 . . . . 73.42 111.999 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 61.5 mtp -68.4 -28.45 67.11 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.933 0.893 . . . . 74.34 111.95 175.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.96 -18.13 64.99 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 122.971 0.508 . . . . 62.45 112.079 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.0 m -75.34 77.08 2.43 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.783 0.801 . . . . 73.13 110.477 171.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.577 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 28.0 t70 -65.4 -36.84 85.17 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.476 1.111 . . . . 71.2 111.945 -176.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.08 -42.21 89.87 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.956 1.302 . . . . 65.33 113.428 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.9 mt -81.15 -3.91 53.67 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 114.05 1.13 . . . . 72.34 114.05 -172.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.626 ' HD2' ' HB2' ' A' ' 77' ' ' ASP . 9.5 mtmp? -67.3 -30.22 70.02 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.264 0.838 . . . . 74.35 113.264 -178.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -113.46 -36.19 5.03 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.319 0.648 . . . . 73.25 111.887 173.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 51.0 mm -71.16 99.37 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-O 121.253 0.549 . . . . 75.31 111.63 -175.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -123.22 -48.15 1.99 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.045 0.938 . . . . 73.41 110.692 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -77.84 -77.57 0.15 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.166 0.587 . . . . 71.43 111.086 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 64.12 -73.39 0.05 Allowed 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 125.269 1.428 . . . . 74.11 113.764 176.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 27.8 ttt -73.02 105.7 4.59 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.025 0.93 . . . . 75.41 111.115 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.488 1.458 0 C-N-CA 123.609 0.764 . . . . 61.11 111.133 177.539 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.495 1.805 0 N-CA-C 111.74 0.274 . . . . 62.2 111.74 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 65.36 20.62 11.84 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 124.792 1.237 . . . . 74.1 111.788 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.9 ttm -72.96 134.16 81.31 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 123.458 0.703 . . . . 73.44 110.574 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -56.16 109.88 0.49 Allowed 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 122.394 2.063 . . . . 75.42 110.822 171.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.1 t -52.8 117.11 10.28 Favored Pre-proline 0 CA--C 1.561 1.371 0 C-N-CA 124.714 1.206 . . . . 73.14 112.628 -172.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -60.02 155.85 42.41 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 123.205 2.603 . . . . 72.24 114.574 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.2 m -73.31 145.31 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 115.351 -0.84 . . . . 71.42 111.63 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 p -89.96 131.77 35.68 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.229 0.611 . . . . 72.33 109.556 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.7 m -64.44 -70.63 0.21 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.031 0.532 . . . . 71.04 111.765 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -151.37 -150.12 0.33 Allowed 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 123.278 0.631 . . . . 62.55 110.371 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.42 -44.71 35.36 Favored 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 114.892 1.442 . . . . 64.51 114.892 -170.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -68.3 -51.93 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 CA-C-N 118.173 0.442 . . . . 75.33 111.672 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -65.99 -27.44 68.14 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.966 0.906 . . . . 74.0 112.283 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -77.02 -56.63 4.42 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 122.529 0.332 . . . . 74.1 110.668 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -59.54 -38.91 82.27 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.296 1.038 . . . . 75.25 113.21 -173.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.497 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.1 t -64.49 -52.72 56.44 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 122.649 0.379 . . . . 73.23 111.913 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -27.95 69.19 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 118.728 0.695 . . . . 73.31 112.532 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.0 -39.57 83.18 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.833 0.679 . . . . 71.21 112.833 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.1 ptp -75.04 -27.7 60.13 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.261 0.225 . . . . 71.44 110.951 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 81.3 mt -69.39 -35.09 75.45 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.921 0.488 . . . . 74.4 111.228 170.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.479 HG22 ' HG ' ' A' ' 37' ' ' CYS . 50.4 m -63.95 -44.29 93.26 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.037 0.535 . . . . 74.43 109.87 172.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.16 73.13 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.973 0.909 . . . . 74.33 111.871 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.27 -30.29 68.37 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.263 0.625 . . . . 73.31 111.735 173.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -86.48 -3.68 59.05 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.549 0.74 . . . . 74.41 112.544 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.503 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 33.3 mm-40 -80.45 -9.73 59.75 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.438 0.695 . . . . 73.02 111.875 171.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.482 HG21 ' O ' ' A' ' 70' ' ' LEU . 15.2 t -59.01 -31.46 68.83 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.869 0.868 . . . . 71.12 112.084 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -118.06 135.63 54.06 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.451 1.1 . . . . 71.33 110.307 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -79.91 2.2 24.32 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.254 0.622 . . . . 73.2 112.062 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -57.25 -31.13 65.24 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.794 0.838 . . . . 73.53 113.018 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.532 ' HB3' HD22 ' A' ' 83' ' ' LEU . 51.0 p-80 -62.4 -33.15 74.21 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 118.336 0.516 . . . . 73.02 111.815 176.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.9 t -74.81 -52.69 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.086 0.555 . . . . 72.42 110.647 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.45 90.92 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.156 0.982 . . . . 65.03 113.061 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.513 HG23 ' HA ' ' A' ' 84' ' ' CYS . 81.9 mt -73.9 -29.91 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.955 0.902 . . . . 75.22 110.777 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.53 31.86 12.63 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-N 116.386 -0.37 . . . . 52.33 113.171 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.22 110.81 22.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.785 0.834 . . . . 61.21 109.773 174.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.489 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 5.4 m-20 -70.28 109.78 4.89 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.246 0.546 . . . . 75.13 110.563 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.503 ' SG ' ' NE2' ' A' ' 25' ' ' GLN . 23.0 p -68.07 -5.82 19.58 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.15 1.167 . . . . 44.4 114.15 -172.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.38 -36.74 77.09 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 123.133 0.573 . . . . 72.4 112.264 172.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 11.5 ptp180 -73.75 -34.2 64.64 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 122.691 0.396 . . . . 73.4 110.302 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 44' ' ' ILE . 88.9 mt -65.42 -51.38 60.69 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.322 0.649 . . . . 72.21 110.535 177.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -62.45 -35.73 80.2 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.143 0.977 . . . . 73.54 112.585 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.23 67.94 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.632 0.773 . . . . 63.44 112.556 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -77.41 -30.41 53.5 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 122.445 0.298 . . . . 72.33 111.617 172.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 40' ' ' LEU . 73.9 mt -63.42 -38.1 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 CA-C-O 121.316 0.579 . . . . 71.51 109.516 168.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -61.0 -41.38 96.42 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.104 1.362 . . . . 54.21 113.128 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -31.76 58.61 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 116.425 -0.352 . . . . 75.43 111.232 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.461 ' HA ' ' NH2' ' A' ' 50' ' ' ARG . 74.3 m -66.95 -49.2 66.2 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.407 0.683 . . . . 75.31 112.324 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.3 tt -66.58 -33.07 61.03 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.342 0 C-N-CA 123.026 0.531 . . . . 72.44 111.779 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -66.43 -25.71 66.88 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.508 0.929 . . . . 74.22 113.508 -174.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.461 ' NH2' ' HA ' ' A' ' 47' ' ' CYS . 74.8 mtm-85 -67.36 -49.95 61.86 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 121.749 -0.595 . . . . 75.31 112.433 -177.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.13 -41.9 12.0 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.123 0.569 . . . . 71.32 112.509 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.468 HG13 ' HA ' ' A' ' 59' ' ' TYR . 22.0 t -93.51 -11.11 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 123.967 0.907 . . . . 74.12 112.367 -171.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.65 28.74 0.49 Allowed Glycine 0 CA--C 1.54 1.631 0 N-CA-C 117.024 1.57 . . . . 72.43 117.024 -173.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -64.98 -21.86 66.91 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 117.925 0.862 . . . . 72.01 110.733 161.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t 50.1 29.88 3.85 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 126.989 2.116 . . . . 75.32 114.197 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -94.22 -82.72 0.35 Allowed 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 115.799 -0.637 . . . . 72.21 110.683 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.1 ttp -119.22 -44.03 2.6 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.387 1.075 . . . . 75.51 110.214 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HG2' HG12 ' A' ' 52' ' ' VAL . 45.0 tttp -52.58 -46.9 67.09 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.285 1.434 . . . . 74.11 112.274 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.468 ' HA ' HG13 ' A' ' 52' ' ' VAL . 37.2 t80 -58.52 -51.09 71.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.255 1.022 . . . . 75.5 111.967 -177.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -55.23 -50.96 68.1 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.552 0.741 . . . . 73.31 112.131 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -73.06 -34.32 66.2 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.344 0.657 . . . . 74.53 112.356 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -68.41 -36.02 78.49 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.515 0.726 . . . . 71.24 111.197 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 59' ' ' TYR . 95.1 t -65.15 -44.64 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 CA-C-N 115.868 -0.605 . . . . 74.32 110.817 172.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -64.02 -33.36 75.57 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 122.78 0.432 . . . . 74.44 111.882 176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.9 t -65.24 -40.91 94.66 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.556 0.742 . . . . 74.53 110.576 174.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH1' ' SD ' ' A' ' 100' ' ' MET . 6.7 tpm_? -61.9 -46.78 87.87 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.399 0.68 . . . . 65.55 111.115 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 63' ' ' VAL . 93.5 mt -60.0 -50.79 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.919 0.888 . . . . 74.11 111.925 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.3 p -66.48 -42.68 87.1 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.392 0.677 . . . . 74.2 111.832 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -63.88 -22.53 66.96 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.557 0.743 . . . . 74.33 112.728 172.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.482 ' O ' HG21 ' A' ' 26' ' ' THR . 76.8 mt -83.46 -23.48 32.22 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 112.271 0.471 . . . . 73.53 112.271 170.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -106.21 6.56 30.91 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 113.636 0.976 . . . . 73.23 113.636 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.71 121.62 24.96 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 118.039 0.381 . . . . 72.01 111.675 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.09 -9.86 58.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 114.534 1.309 . . . . 74.04 114.534 -172.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -84.31 -21.74 30.89 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.585 0.587 . . . . 75.44 112.585 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -130.48 88.95 45.6 Favored Pre-proline 0 N--CA 1.493 1.702 0 C-N-CA 123.225 0.61 . . . . 74.43 109.555 172.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -81.04 -24.06 4.95 Favored 'Trans proline' 0 C--N 1.374 1.879 0 C-N-CA 122.677 2.251 . . . . 75.35 114.309 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.26 -33.98 75.66 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.886 1.275 . . . . 71.11 112.044 -174.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.2 tp -51.26 -53.92 30.84 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.168 1.387 . . . . 72.04 113.662 -172.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.587 ' HD2' ' H ' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -74.7 -36.2 62.74 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 115.884 -0.598 . . . . 74.01 111.359 -168.128 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -61.72 -36.93 82.38 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.259 0.35 . . . . 75.44 111.223 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.586 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 65.1 m-80 -64.53 -35.58 81.42 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.522 0.564 . . . . 74.02 112.522 172.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.2 t -68.76 -39.92 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 CA-C-O 121.315 0.579 . . . . 73.13 110.724 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 30' ' ' HIS . 85.3 mt -79.66 -15.25 57.93 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.92 0.888 . . . . 63.15 112.21 -177.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.586 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 17.4 p -96.78 -13.67 22.47 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.061 0.544 . . . . 73.03 111.324 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.6 8.55 63.83 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 114.341 0.496 . . . . 71.24 114.341 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.09 -52.42 23.95 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.317 0.647 . . . . 73.05 110.794 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 73.7 mt -91.15 122.85 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 108.696 -0.853 . . . . 71.42 108.696 167.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 p -75.53 155.8 85.37 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 122.753 0.421 . . . . 74.04 110.891 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -54.66 -28.07 54.53 Favored 'Trans proline' 0 C--N 1.374 1.921 0 C-N-CA 122.918 2.412 . . . . 74.02 113.886 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -43.7 53.69 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.501 0.72 . . . . 73.53 110.798 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -66.44 -45.75 78.77 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.149 0.579 . . . . 71.14 112.205 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.4 tp -60.09 -35.76 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-O 120.644 0.259 . . . . 71.1 111.278 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.53 87.99 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.511 0.725 . . . . 62.32 112.621 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.2 m -92.51 -19.39 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 113.959 1.096 . . . . 74.03 113.959 -172.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 61.7 mtm -69.19 138.46 54.09 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 118.382 0.537 . . . . 71.32 111.192 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.7 p -74.5 166.97 22.63 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.168 0.587 . . . . 74.43 111.911 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 92.9 p -59.93 -31.46 69.87 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.101 0.561 . . . . 71.2 111.78 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.19 -40.5 97.67 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.713 0.805 . . . . 74.22 112.169 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.67 -47.96 57.25 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.706 0.765 . . . . 75.31 110.871 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.433 ' SD ' ' NH1' ' A' ' 66' ' ' ARG . 66.9 mtm -75.78 -23.59 55.93 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 114.738 -1.119 . . . . 62.05 113.41 -172.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -111.73 10.01 20.91 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.795 0.838 . . . . 71.44 111.817 -178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.3 t -60.49 125.83 25.18 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.98 0.733 . . . . 75.13 112.98 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -67.81 -18.51 64.87 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.786 0.835 . . . . 74.0 112.242 173.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -74.95 -56.9 4.28 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 109.383 -0.599 . . . . 61.13 109.383 171.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.9 mt -74.42 -5.45 42.53 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 114.098 1.148 . . . . 71.51 114.098 -172.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -73.35 6.21 3.08 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 113.515 0.931 . . . . 74.22 113.515 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -154.2 17.17 0.49 Allowed 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 113.212 0.819 . . . . 75.11 113.212 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 45.1 mm -88.3 5.82 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 CA-C-O 121.499 0.666 . . . . 73.05 112.005 -176.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -59.07 153.2 18.38 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.147 -0.97 . . . . 73.44 110.45 165.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 79.09 -46.25 0.38 Allowed 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 125.613 1.565 . . . . 71.34 110.767 -170.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.9 83.03 1.21 Allowed 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 121.588 0.708 . . . . 72.51 110.409 173.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 51.4 ttm -140.84 -25.27 0.75 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.357 1.063 . . . . 75.24 110.33 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 CA--C 1.569 1.692 0 C-N-CA 123.72 0.808 . . . . 75.43 111.538 177.844 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.5 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 121.021 0.439 . . . . 70.25 112.087 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -163.32 -49.39 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.76 1.224 . . . . 74.51 109.101 177.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 69.1 mtm -71.56 154.47 93.25 Favored Pre-proline 0 CA--C 1.555 1.142 0 CA-C-N 115.933 -0.576 . . . . 74.43 110.564 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -60.21 134.07 53.6 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 121.977 1.784 . . . . 72.21 110.803 168.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.4 m -52.15 136.14 39.34 Favored Pre-proline 0 N--CA 1.49 1.535 0 C-N-CA 124.01 0.924 . . . . 74.33 111.947 -175.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -66.78 141.05 57.96 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.083 1.856 . . . . 75.25 113.259 -169.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.96 107.09 15.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 124.681 1.192 . . . . 75.45 109.645 -172.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.549 ' HA ' ' HB2' ' A' ' 14' ' ' ASN . 81.5 m 60.02 -83.27 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.557 1.143 . . . . 73.45 110.956 -169.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.2 m 50.86 54.54 11.05 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.39 1.076 . . . . 71.44 111.015 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.494 ' HB3' HH21 ' A' ' 13' ' ' ARG . 25.7 t70 65.13 167.02 0.18 Allowed 'General case' 0 CA--C 1.571 1.765 0 C-N-CA 124.289 1.036 . . . . 64.52 111.236 -171.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.56 -11.27 15.52 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 114.345 1.239 . . . . 62.2 114.345 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.8 t -71.86 -63.4 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 CA-C-N 118.829 0.74 . . . . 72.4 111.435 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.494 HH21 ' HB3' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -69.46 -34.97 75.16 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.272 0.629 . . . . 73.01 111.949 -170.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.549 ' HB2' ' HA ' ' A' ' 8' ' ' THR . 64.5 t30 -64.9 -49.06 71.92 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 110.187 -0.301 . . . . 55.11 110.187 176.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' HZ3' ' HB3' ' A' ' 15' ' ' LYS . 7.5 ttpm? -60.92 -41.53 96.36 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.271 0.628 . . . . 75.15 112.179 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -56.9 -46.07 82.17 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.961 0.504 . . . . 62.03 111.258 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -65.79 -42.09 91.16 Favored 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 123.89 0.876 . . . . 73.23 110.862 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.75 -39.01 93.23 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 124.278 1.031 . . . . 64.55 112.472 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.2 mtm -74.39 -37.34 63.44 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.564 0.746 . . . . 73.33 111.488 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.14 -36.47 79.73 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.568 0.347 . . . . 73.33 110.819 172.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.571 HG21 ' SG ' ' A' ' 37' ' ' CYS . 66.5 m -64.96 -42.89 94.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.319 0.648 . . . . 72.12 111.011 174.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.96 -32.77 74.66 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.608 0.763 . . . . 65.32 111.538 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -70.01 -28.26 65.35 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.737 0.815 . . . . 71.34 111.671 172.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.41 HD21 ' HE1' ' A' ' 30' ' ' HIS . 95.0 mt -86.7 -16.07 37.61 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.375 0.67 . . . . 73.11 112.388 173.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -104.24 -2.0 26.3 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 123.811 0.845 . . . . 74.41 112.715 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -58.87 -33.09 70.08 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.151 0.5 . . . . 73.43 111.599 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -89.03 -29.36 19.52 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.021 0.928 . . . . 73.23 112.273 176.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 m80 62.84 5.9 1.96 Allowed 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 124.923 1.289 . . . . 70.51 113.001 -171.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.41 -24.65 60.31 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.918 0.887 . . . . 72.4 110.706 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.483 ' HD2' ' HB3' ' A' ' 35' ' ' ALA . 2.2 m80 -55.52 -41.02 72.54 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.887 0.875 . . . . 74.42 111.748 170.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.4 t -68.42 -37.64 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 123.232 0.613 . . . . 65.32 110.972 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.65 85.81 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.802 0.841 . . . . 72.25 112.244 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.0 mt -78.31 -26.5 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.631 0.773 . . . . 74.33 110.992 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.89 0.74 68.32 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-N 116.43 -0.35 . . . . 74.12 113.079 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.483 ' HB3' ' HD2' ' A' ' 30' ' ' HIS . . . -78.14 110.64 13.29 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.551 0.74 . . . . 55.33 110.479 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.05 129.19 37.52 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.562 0.345 . . . . 74.22 110.865 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.571 ' SG ' HG21 ' A' ' 21' ' ' THR . 7.7 p -73.82 -31.67 63.34 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.382 1.253 . . . . 74.42 114.382 -172.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.35 -41.35 73.27 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 123.051 0.541 . . . . 75.22 112.366 -172.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -65.06 -33.3 75.72 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.287 0.635 . . . . 72.23 111.205 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 44' ' ' ILE . 73.1 mt -67.0 -55.39 14.66 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.12 0.568 . . . . 72.35 110.611 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -60.03 -32.46 70.92 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.922 0.889 . . . . 75.4 112.429 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.77 -41.9 86.99 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.5 0.72 . . . . 73.5 112.239 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -71.64 -33.55 69.02 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.955 0.502 . . . . 70.44 111.612 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 40' ' ' LEU . 79.6 mt -61.92 -45.54 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.438 0.695 . . . . 73.31 109.873 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -69.71 -34.36 73.79 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.422 -0.808 . . . . 71.42 111.586 -177.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -34.58 72.66 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 113.965 1.098 . . . . 72.35 113.965 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.0 m -76.61 -49.24 16.77 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.004 0.372 . . . . 71.21 112.004 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.599 HG21 HH12 ' A' ' 66' ' ' ARG . 3.7 tt -70.3 -34.54 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 123.631 0.772 . . . . 74.24 112.411 -177.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.98 -25.3 60.84 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.734 1.214 . . . . 74.05 113.233 -172.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -67.31 -50.45 60.14 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.594 0.758 . . . . 75.43 111.419 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -90.23 -47.39 7.81 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.865 0.866 . . . . 63.11 112.741 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.452 ' HB ' HG12 ' A' ' 48' ' ' ILE . 56.6 t -102.26 -18.19 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 124.381 1.073 . . . . 72.31 112.659 -170.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.45 30.39 1.01 Allowed Glycine 0 CA--C 1.547 2.09 0 N-CA-C 115.828 1.091 . . . . 73.41 115.828 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -82.89 6.2 19.27 Favored 'General case' 0 CA--C 1.565 1.529 0 C-N-CA 125.732 1.613 . . . . 70.25 112.508 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.1 p 61.73 21.85 12.51 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 125.615 1.566 . . . . 75.02 113.411 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.82 170.64 16.24 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.236 1.015 . . . . 72.31 111.07 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.0 ttm -51.96 -34.91 44.22 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.757 1.223 . . . . 74.32 112.194 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -54.08 -51.2 64.88 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.21 1.004 . . . . 71.01 111.659 171.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -66.64 -37.82 85.6 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.481 1.112 . . . . 75.22 112.177 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -64.11 -44.98 90.62 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.122 0.569 . . . . 75.21 110.944 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -68.24 -39.08 82.38 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-N 115.596 -0.729 . . . . 71.41 111.504 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -67.68 -42.8 81.52 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.734 0.814 . . . . 74.32 112.682 -176.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.3 t -67.76 -47.19 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 122.829 0.452 . . . . 54.03 111.255 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.539 ' HA ' HD13 ' A' ' 67' ' ' ILE . 39.6 ptt180 -64.88 -28.91 69.86 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 112.121 0.415 . . . . 73.3 112.121 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -59.12 -41.54 88.46 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.354 0.662 . . . . 75.43 111.564 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.599 HH12 HG21 ' A' ' 48' ' ' ILE . 99.3 mtt180 -64.54 -54.05 38.36 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.976 0.511 . . . . 74.51 111.083 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' A' ' 64' ' ' ARG . 60.3 mt -51.9 -43.98 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 124.499 1.12 . . . . 73.41 111.508 -176.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.5 t -58.07 -51.83 68.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.475 1.11 . . . . 71.51 111.94 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' HB3' ' A' ' 100' ' ' MET . 61.6 t30 -72.37 -28.08 62.79 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.132 0.973 . . . . 71.14 112.34 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 90.4 mt -82.9 -4.84 58.64 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.008 0.923 . . . . 73.01 112.337 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HE3' HG21 ' A' ' 67' ' ' ILE . 18.5 ptpt -121.17 5.37 10.31 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.216 0.606 . . . . 72.14 111.011 169.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.99 131.06 37.22 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.263 0.625 . . . . 45.3 112.068 -171.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.92 62.85 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.039 0.936 . . . . 74.23 112.854 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.2 -24.32 37.53 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.59 0.756 . . . . 73.51 110.9 -175.556 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -122.66 81.02 48.12 Favored Pre-proline 0 CA--C 1.562 1.441 0 C-N-CA 122.965 0.506 . . . . 74.41 110.373 169.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -83.64 -20.94 4.43 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.731 2.288 . . . . 64.34 112.694 170.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.98 -50.17 73.49 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.48 1.112 . . . . 74.53 112.544 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.523 HD23 HD11 ' A' ' 92' ' ' ILE . 68.0 tp -55.43 -55.19 34.63 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.555 0.742 . . . . 73.1 112.256 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -71.81 -30.27 65.33 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.571 0.748 . . . . 73.44 112.607 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.63 ' HA ' HD13 ' A' ' 83' ' ' LEU . 2.7 tmt_? -69.94 -36.23 75.14 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.924 0.89 . . . . 73.25 109.901 178.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.44 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 91.8 m-20 -67.17 -41.73 85.44 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.713 -0.676 . . . . 73.52 111.121 172.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.89 -30.08 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.615 0 C-N-CA 122.842 0.457 . . . . 74.23 111.347 175.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.63 HD13 ' HA ' ' A' ' 80' ' ' ARG . 45.5 mt -61.64 -53.96 49.18 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.77 0.828 . . . . 74.33 110.864 174.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 26.3 p -81.37 -10.76 59.47 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.831 0.853 . . . . 60.44 112.692 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.86 64.43 1.87 Allowed Glycine 0 CA--C 1.537 1.451 0 C-N-CA 122.799 0.238 . . . . 70.22 113.225 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB3' ' HZ2' ' A' ' 110' ' ' LYS . . . -116.49 -54.21 2.47 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.188 0.995 . . . . 73.5 109.929 178.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 81' ' ' ASN . 1.7 mp -80.64 127.25 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 N-CA-C 109.033 -0.729 . . . . 71.34 109.033 170.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.2 p -76.92 148.52 79.0 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 115.885 -0.598 . . . . 74.12 110.63 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.91 -21.9 60.1 Favored 'Trans proline' 0 C--N 1.372 1.779 0 C-N-CA 122.502 2.135 . . . . 60.32 114.243 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -71.86 -34.12 68.96 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 117.735 0.243 . . . . 72.22 111.445 174.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -61.78 -59.38 5.24 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.984 0.514 . . . . 74.42 111.213 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.523 HD11 HD23 ' A' ' 78' ' ' LEU . 7.1 tp -60.92 -20.94 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 CA-C-O 121.296 0.569 . . . . 73.15 112.046 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.498 ' HA ' ' NH2' ' A' ' 66' ' ' ARG . . . -73.1 -46.96 48.31 Favored 'General case' 0 CA--C 1.557 1.229 0 N-CA-C 112.477 0.547 . . . . 75.51 112.477 173.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.8 m -88.26 -24.52 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 N-CA-C 113.254 0.835 . . . . 74.5 113.254 -172.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.429 ' SD ' HD12 ' A' ' 105' ' ' LEU . 67.0 mtm -70.45 128.82 37.47 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.282 0.475 . . . . 71.13 112.282 -175.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.1 p -63.83 167.35 6.14 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.979 0.912 . . . . 74.54 111.046 177.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.7 t -61.86 -29.04 69.92 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 112.023 0.379 . . . . 74.24 112.023 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.45 -36.61 81.51 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.525 0.73 . . . . 71.31 110.812 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.532 ' HA ' ' HB2' ' A' ' 102' ' ' SER . 10.2 mm-40 -77.76 -34.56 52.38 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.482 0.713 . . . . 72.35 111.404 177.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.45 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 67.1 mtp -65.57 -24.76 67.16 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.799 0.84 . . . . 73.41 111.394 175.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.75 5.88 23.13 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.218 1.007 . . . . 74.33 112.354 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.532 ' HB2' ' HA ' ' A' ' 99' ' ' GLU . 47.5 t -61.84 131.24 49.16 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 113.813 1.042 . . . . 74.13 113.813 -171.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -61.37 -26.13 67.62 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.784 0.834 . . . . 73.44 111.785 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -59.29 -58.99 6.21 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.31 0.644 . . . . 74.44 110.494 172.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.429 HD12 ' SD ' ' A' ' 95' ' ' MET . 64.5 mt -68.13 -27.49 66.5 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 112.949 0.722 . . . . 73.43 112.949 -177.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -70.48 -12.19 61.41 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.674 0.39 . . . . 73.51 111.877 175.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -112.13 -21.42 11.5 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.798 0.839 . . . . 75.54 112.188 170.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.596 HG23 ' HB1' ' A' ' 111' ' ' ALA . 47.4 mm -84.49 76.69 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-O 122.731 1.253 . . . . 74.34 108.679 174.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -106.65 108.33 19.79 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-N 113.852 -1.522 . . . . 72.33 109.166 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.478 ' HZ2' ' HB3' ' A' ' 86' ' ' ALA . 17.2 tppt? 63.49 12.47 6.41 Favored 'General case' 0 CA--C 1.576 1.949 0 C-N-CA 123.625 0.77 . . . . 74.44 111.585 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.596 ' HB1' HG23 ' A' ' 108' ' ' ILE . . . -76.58 83.05 3.25 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.504 0.722 . . . . 62.52 111.325 -175.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.6 ptp -90.52 -7.66 52.36 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 115.246 -0.888 . . . . 73.34 111.729 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.8 m . . . . . 0 N--CA 1.491 1.623 0 C-N-CA 125.24 1.416 . . . . 75.21 112.011 178.515 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 112.105 0.409 . . . . 70.43 112.105 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -71.77 87.8 0.98 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.364 0.602 . . . . 73.44 110.096 173.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.422 ' SD ' ' NH2' ' A' ' 50' ' ' ARG . 31.2 mtm -84.74 128.85 59.2 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 123.999 0.92 . . . . 73.31 110.328 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.23 122.36 9.41 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.181 1.921 . . . . 65.54 111.698 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.483 HG22 ' HG2' ' A' ' 46' ' ' GLU . 57.7 t -68.24 119.96 71.35 Favored Pre-proline 0 CA--C 1.559 1.31 0 C-N-CA 123.072 0.549 . . . . 71.51 109.683 176.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.511 ' HD2' ' HB2' ' A' ' 46' ' ' GLU . 28.7 Cg_endo -60.6 160.85 22.79 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.73 2.287 . . . . 74.34 113.032 178.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.0 m -68.97 161.24 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 123.645 0.778 . . . . 74.32 111.345 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.405 ' HA ' HH11 ' A' ' 13' ' ' ARG . 40.5 p -65.23 92.7 0.12 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.195 0.598 . . . . 71.03 110.777 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.4 m -54.77 -48.12 73.06 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.116 1.366 . . . . 72.22 112.599 -175.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -154.38 168.42 26.7 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 114.585 -1.189 . . . . 74.14 109.167 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.55 -28.49 65.56 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.696 0.798 . . . . 71.11 111.796 173.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.06 -55.55 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 123.33 0.652 . . . . 73.4 111.218 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.405 HH11 ' HA ' ' A' ' 8' ' ' THR . 3.1 tmt_? -62.74 -42.92 99.9 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.435 0.694 . . . . 75.31 111.184 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.75 -42.86 94.85 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.023 0.529 . . . . 74.2 111.134 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -62.6 -46.31 88.87 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.241 0.616 . . . . 71.33 111.319 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -57.86 -46.34 84.95 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.002 0.921 . . . . 73.44 111.625 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -57.61 -45.96 84.67 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.809 1.244 . . . . 71.32 111.442 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -77.28 -25.7 51.67 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.493 0.923 . . . . 75.23 113.493 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.1 mtm -75.04 -31.57 61.34 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.818 0.447 . . . . 71.4 111.263 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' ' 45' ' ' GLU . 62.2 mt -70.17 -34.01 72.47 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.342 0.257 . . . . 72.33 110.682 170.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.7 m -61.24 -47.1 87.59 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.838 0.455 . . . . 63.2 110.332 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.68 75.54 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.096 0.959 . . . . 62.13 111.817 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.67 95.25 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.663 0.785 . . . . 65.23 111.634 172.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.575 HD22 HD21 ' A' ' 70' ' ' LEU . 98.2 mt -78.04 -6.96 56.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 113.552 0.945 . . . . 73.1 113.552 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -125.21 13.17 8.3 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.135 0.574 . . . . 73.02 112.047 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -57.42 -35.66 70.34 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.766 0.654 . . . . 74.41 112.766 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -118.58 24.25 11.01 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.807 0.843 . . . . 74.13 110.745 174.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.8 m80 53.83 38.32 28.37 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.713 0.805 . . . . 74.54 110.501 -166.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -57.04 -43.19 81.7 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.672 1.189 . . . . 75.15 113.042 -164.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -64.8 -30.22 71.22 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.211 0.819 . . . . 73.22 113.211 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.8 -36.49 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 C-N-CA 123.527 0.731 . . . . 63.14 111.463 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.33 70.22 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.251 0.62 . . . . 53.43 111.931 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -90.47 -29.39 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 C-N-CA 124.028 0.931 . . . . 71.25 111.852 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.81 10.12 57.97 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 122.391 -0.193 . . . . 71.54 113.376 -173.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.1 159.26 26.16 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.992 0.917 . . . . 73.14 112.393 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 8.3 m-20 -107.37 96.25 6.28 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.826 0.85 . . . . 73.44 109.772 175.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.7 p -68.45 -33.4 74.11 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 114.079 1.14 . . . . 73.53 114.079 -166.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -37.64 87.92 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 112.963 0.727 . . . . 74.21 112.963 -175.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 14.8 ptp180 -82.85 -29.99 28.98 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.608 0.363 . . . . 72.54 111.244 177.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 75.0 mt -66.27 -43.67 85.78 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.537 0.335 . . . . 74.22 111.202 176.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.1 p -65.62 -35.9 82.15 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.978 0.911 . . . . 73.31 111.491 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.71 91.25 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.471 0.709 . . . . 72.11 111.519 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 59.5 mt-30 -67.5 -40.06 85.19 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.334 0.653 . . . . 73.02 111.365 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 40' ' ' LEU . 74.7 mt -61.13 -53.88 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-O 121.314 0.578 . . . . 72.4 110.733 177.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.618 ' HB3' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -69.97 -32.44 70.67 Favored 'General case' 0 C--O 1.209 -1.066 0 CA-C-N 115.459 -0.791 . . . . 74.5 112.553 -173.474 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HB2' ' HD2' ' A' ' 6' ' ' PRO . 1.8 pp20? -73.62 -32.87 64.28 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 118.97 0.804 . . . . 63.02 112.009 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.5 m -59.91 -49.69 76.7 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.1 0.56 . . . . 71.33 111.11 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.9 tt -76.42 -25.01 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.531 0 CA-C-N 115.978 -0.555 . . . . 71.42 111.392 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -72.85 -31.85 65.04 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 123.435 0.694 . . . . 74.02 111.8 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' NH2' ' SD ' ' A' ' 3' ' ' MET . 47.0 mtm105 -72.53 -19.73 61.46 Favored 'General case' 0 CA--C 1.558 1.262 0 O-C-N 121.806 -0.559 . . . . 74.22 111.523 174.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -91.31 -41.73 10.77 Favored 'General case' 0 CA--C 1.569 1.688 0 C-N-CA 123.716 0.807 . . . . 75.53 112.541 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.553 HG12 ' HE2' ' A' ' 58' ' ' LYS . 71.6 t -113.34 -10.34 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 125.137 1.375 . . . . 74.24 112.53 -164.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.98 2.16 1.08 Allowed Glycine 0 N--CA 1.486 2.009 0 N-CA-C 117.132 1.613 . . . . 73.14 117.132 -171.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -63.64 -13.05 38.82 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.855 0.862 . . . . 73.01 111.588 167.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p 60.9 -91.46 0.03 OUTLIER 'General case' 0 C--N 1.359 1.01 0 C-N-CA 126.496 1.919 . . . . 73.42 111.895 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 t70 56.68 -74.96 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 125.047 1.339 . . . . 72.34 112.129 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.6 ttp -147.25 -41.29 0.18 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.395 1.078 . . . . 71.41 110.313 171.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.553 ' HE2' HG12 ' A' ' 52' ' ' VAL . 21.4 ptmt -55.16 -40.64 70.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.523 1.129 . . . . 74.34 113.798 -170.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -59.39 -49.07 79.24 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.257 0.466 . . . . 63.0 112.257 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.36 -44.25 96.91 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.401 0.68 . . . . 72.43 111.738 -176.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -67.69 -43.28 80.5 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.584 0.753 . . . . 73.34 111.906 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -64.6 -35.58 81.46 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.589 0.755 . . . . 74.31 111.714 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 67' ' ' ILE . 62.6 t -64.38 -48.97 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 122.63 0.372 . . . . 64.32 110.625 173.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -53.25 -41.41 65.45 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 123.686 0.794 . . . . 73.52 112.229 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.0 m -68.02 -42.54 80.47 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 115.785 -0.643 . . . . 71.34 111.397 175.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -33.33 72.39 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.033 0.533 . . . . 71.43 112.016 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.469 HG21 ' HD2' ' A' ' 71' ' ' LYS . 73.9 mt -60.15 -53.06 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 108.805 -0.813 . . . . 72.31 108.805 172.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 t -54.96 -36.25 65.13 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.6 1.16 . . . . 61.3 112.36 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -76.0 -33.26 59.69 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.564 0.745 . . . . 73.23 112.268 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.575 HD21 HD22 ' A' ' 24' ' ' LEU . 69.7 mt -88.04 -6.08 58.14 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 122.825 0.45 . . . . 73.2 112.023 -177.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.469 ' HD2' HG21 ' A' ' 67' ' ' ILE . 19.1 ptmt -121.48 15.09 11.19 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.765 0.826 . . . . 75.21 110.41 173.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -62.95 133.35 54.49 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.326 0.861 . . . . 75.05 113.326 -163.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.9 -36.46 49.56 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 114.5 -1.227 . . . . 53.4 110.982 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -67.91 -49.28 62.78 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 115.652 -0.704 . . . . 74.15 110.943 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -115.79 90.13 26.0 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.955 0.902 . . . . 62.31 109.746 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.72 -29.47 29.28 Favored 'Trans proline' 0 C--N 1.374 1.915 0 C-N-CA 122.35 2.033 . . . . 75.24 111.373 171.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.562 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 13.9 m-20 -70.36 -19.86 63.01 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.436 -0.802 . . . . 74.04 112.311 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' ' 100' ' ' MET . 26.8 tp -60.22 -54.78 41.78 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.209 0.604 . . . . 70.33 111.776 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -68.3 -41.41 80.96 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.372 0.669 . . . . 72.33 111.474 172.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.562 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 52.4 ttt180 -56.81 -41.35 77.62 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.586 1.154 . . . . 73.13 112.478 -177.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -65.03 -40.64 95.15 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.308 0.643 . . . . 73.51 111.418 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.407 HG23 HG12 ' A' ' 92' ' ' ILE . 40.6 t -67.56 -42.63 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.058 0.543 . . . . 62.43 110.544 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 73.0 mt -68.87 -28.67 66.92 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 115.217 -0.901 . . . . 64.34 111.562 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.1 t -82.45 -15.87 50.98 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.432 0.693 . . . . 52.45 111.483 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.07 2.34 80.84 Favored Glycine 0 CA--C 1.538 1.484 0 CA-C-O 119.343 -0.698 . . . . 64.22 114.332 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.61 -53.15 60.9 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.95 0.9 . . . . 73.31 111.659 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -101.01 123.02 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 108.529 -0.915 . . . . 74.33 108.529 168.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.2 p -70.58 145.96 93.24 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 123.175 0.59 . . . . 74.21 111.444 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -47.44 -34.16 18.8 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 124.008 3.139 . . . . 71.35 115.802 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.82 -46.66 77.75 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.01 0.524 . . . . 71.51 110.856 176.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -63.04 -48.28 79.38 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.877 0.871 . . . . 53.43 111.545 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.407 HG12 HG23 ' A' ' 82' ' ' VAL . 10.6 tp -71.0 -11.35 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 112.177 0.436 . . . . 72.24 112.177 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.24 -34.36 28.85 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.317 0.647 . . . . 75.1 112.151 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.4 m -109.16 -22.84 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 113.529 0.937 . . . . 75.03 113.529 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.483 ' HE2' ' HG2' ' A' ' 100' ' ' MET . 38.7 ttp -70.34 131.56 44.33 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.973 0.909 . . . . 65.23 111.169 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.7 p -70.61 164.08 25.65 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.08 0.552 . . . . 74.42 112.314 -173.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 87.9 p -57.45 -43.48 84.0 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.432 0.901 . . . . 53.13 113.432 -169.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -64.48 -49.42 71.45 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.708 0.403 . . . . 75.22 111.314 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -57.56 -45.48 85.1 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.044 0.538 . . . . 74.22 111.247 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.544 ' HB3' HD11 ' A' ' 78' ' ' LEU . 65.0 mtm -58.97 -48.11 82.74 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.776 0.831 . . . . 71.22 111.944 178.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.18 -31.65 69.22 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.056 0.542 . . . . 60.32 111.78 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.0 m -90.16 102.33 15.05 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.34 0.656 . . . . 64.53 110.859 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -59.29 -25.78 64.41 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.301 0.64 . . . . 62.32 110.972 170.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.16 -48.06 83.32 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.76 1.224 . . . . 73.3 110.851 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.2 mt -78.48 -29.36 46.72 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 112.642 0.608 . . . . 73.22 112.642 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -65.2 -35.86 82.4 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 112.344 0.498 . . . . 75.42 112.344 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -79.57 -28.99 41.12 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.68 0.392 . . . . 73.11 111.654 175.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 37.8 mm -79.38 90.57 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 CA-C-O 122.372 1.082 . . . . 74.34 111.789 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -83.81 174.28 10.55 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.523 -1.217 . . . . 73.32 109.851 165.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.1 tptt 73.65 -51.11 0.7 Allowed 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 125.55 1.54 . . . . 75.11 112.004 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.57 -50.11 34.23 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.313 0.645 . . . . 73.14 110.721 171.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.2 mmt -123.91 91.9 3.56 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.286 0.634 . . . . 71.02 110.633 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.489 1.492 0 C-N-CA 123.88 0.872 . . . . 75.11 109.94 177.46 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 p . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 121.036 0.446 . . . . 52.35 111.688 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -157.37 135.58 11.09 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.674 1.189 . . . . 71.24 108.528 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 58.0 mtt -103.24 155.34 36.83 Favored Pre-proline 0 N--CA 1.489 1.475 0 C-N-CA 123.29 0.636 . . . . 62.43 110.256 -177.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.5 98.38 0.18 Allowed 'Trans proline' 0 C--N 1.371 1.716 0 C-N-CA 121.864 1.709 . . . . 74.32 111.06 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.461 HG12 ' HB2' ' A' ' 42' ' ' ALA . 49.1 t -58.48 118.18 26.1 Favored Pre-proline 0 N--CA 1.485 1.311 0 C-N-CA 123.355 0.662 . . . . 75.33 110.836 -175.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.38 160.32 35.87 Favored 'Trans proline' 0 C--N 1.373 1.848 0 C-N-CA 122.339 2.026 . . . . 75.32 113.408 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.4 m -78.14 160.37 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.189 0.596 . . . . 72.03 111.006 174.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.2 p -77.58 107.4 10.01 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.042 0.537 . . . . 72.5 111.629 -176.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.427 ' H ' ' HD3' ' A' ' 13' ' ' ARG . 36.7 t -71.86 -68.33 0.47 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.293 0.637 . . . . 64.02 110.455 177.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.59 164.39 12.11 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 108.332 -0.988 . . . . 72.12 108.332 166.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.11 1.66 5.55 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 113.403 0.89 . . . . 73.54 113.403 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.643 HG11 HG23 ' A' ' 55' ' ' THR . 58.6 t -58.54 -57.66 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 123.632 0.773 . . . . 70.41 112.172 174.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.427 ' HD3' ' H ' ' A' ' 9' ' ' CYS . 4.6 ptm85 -68.15 -30.97 70.22 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.446 0.698 . . . . 72.31 111.991 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.435 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 38.2 t-20 -65.31 -44.08 88.98 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.037 0.535 . . . . 75.4 109.703 173.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -64.05 -36.44 84.0 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.958 0.903 . . . . 74.12 111.43 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.0 t -59.96 -53.51 56.99 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.587 0.755 . . . . 63.11 111.864 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -64.94 -31.67 73.01 Favored 'General case' 0 CA--C 1.556 1.179 0 O-C-N 123.138 0.274 . . . . 72.11 111.366 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 37.7 mm-40 -63.17 -40.94 98.98 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 122.792 0.437 . . . . 73.45 111.913 173.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.436 ' HE3' HG13 ' A' ' 63' ' ' VAL . 73.8 mtm -72.34 -38.0 68.7 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.172 0.589 . . . . 72.2 111.723 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.28 -41.69 85.06 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.73 0.412 . . . . 75.42 110.965 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.462 HG22 ' SG ' ' A' ' 37' ' ' CYS . 96.8 m -65.27 -31.74 73.04 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.296 0.638 . . . . 74.25 111.108 174.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -59.19 -37.65 77.92 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.247 0.619 . . . . 71.22 111.622 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -72.56 -31.05 64.95 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.618 0.767 . . . . 74.21 112.065 174.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.9 mt -82.37 -19.51 39.07 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.284 0.634 . . . . 74.34 112.205 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 8.3 pt20 -109.79 -4.18 16.23 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.489 0.715 . . . . 74.52 112.484 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 t -56.8 -33.29 66.54 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.655 0.741 . . . . 62.2 111.373 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -112.93 159.92 18.59 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.452 1.101 . . . . 75.24 108.813 163.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -82.06 44.09 0.83 Allowed 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.391 0.615 . . . . 74.42 110.41 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -72.45 -50.79 23.61 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.952 1.301 . . . . 75.42 110.617 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -60.77 -26.52 67.3 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.79 -0.641 . . . . 75.52 112.187 175.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -72.76 -41.98 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.234 0.614 . . . . 65.02 110.24 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.05 77.08 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.668 0.787 . . . . 73.32 111.893 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.483 HD13 ' HG ' ' A' ' 84' ' ' CYS . 93.9 mt -84.7 -22.53 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.402 0 C-N-CA 124.526 1.13 . . . . 74.41 111.648 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.74 50.46 9.15 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 113.696 0.238 . . . . 53.23 113.696 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.01 137.25 34.5 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.084 0.953 . . . . 71.02 110.858 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.14 103.57 8.16 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.3 0.64 . . . . 61.32 110.492 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' A' ' 21' ' ' THR . 16.2 p -66.84 -21.05 66.04 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.456 0.91 . . . . 75.41 113.456 -175.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -70.0 -33.63 72.29 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.088 0.773 . . . . 61.12 113.088 -178.218 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -84.33 -26.7 28.29 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.942 0.497 . . . . 72.33 111.749 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.4 -38.42 74.64 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.678 0.391 . . . . 65.22 111.498 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -62.56 -35.04 78.2 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.815 0.846 . . . . 73.43 111.687 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.461 ' HB2' HG12 ' A' ' 5' ' ' VAL . . . -60.27 -31.13 69.93 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.15 0.98 . . . . 73.24 112.201 173.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.494 ' HB3' ' HB2' ' A' ' 89' ' ' PRO . 34.9 tt0 -78.68 -24.35 45.13 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 112.755 0.65 . . . . 72.03 112.755 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.29 -44.36 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.112 -0.993 . . . . 73.11 108.632 163.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.54 -49.15 78.45 Favored 'General case' 0 CA--C 1.554 1.135 0 C-N-CA 124.73 1.212 . . . . 63.14 112.95 -175.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HG3' ' HG ' ' A' ' 47' ' ' CYS . 10.7 pt-20 -50.39 -40.91 51.08 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 124.111 0.964 . . . . 70.34 112.024 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.604 ' SG ' ' HG2' ' A' ' 90' ' ' GLN . 65.8 m -77.67 -52.05 9.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.71 0.804 . . . . 72.12 112.182 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.8 tt -69.16 -25.07 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 122.725 0.41 . . . . 64.23 111.64 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.699 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 63.9 t80 -66.78 -26.03 66.76 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.69 0.796 . . . . 75.31 111.758 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -77.99 -38.13 45.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.526 0.73 . . . . 74.12 112.123 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.64 -56.84 3.13 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.881 0.697 . . . . 72.34 112.881 -176.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.495 HG11 ' HB2' ' A' ' 59' ' ' TYR . 1.3 t -115.81 -16.96 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 123.457 0.703 . . . . 75.24 112.239 -171.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.699 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -78.44 22.21 3.32 Favored Glycine 0 N--CA 1.482 1.721 0 N-CA-C 116.329 1.291 . . . . 72.52 116.329 -168.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -84.88 34.18 0.54 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.822 0.849 . . . . 73.04 111.431 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.643 HG23 HG11 ' A' ' 12' ' ' VAL . 27.7 p 53.74 33.62 17.2 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 125.312 1.445 . . . . 74.24 111.644 -169.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -67.26 164.71 17.74 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 125.319 1.448 . . . . 71.15 112.78 -173.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.8 ttm -60.95 -68.63 0.29 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.058 0.943 . . . . 70.22 111.627 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -57.68 -25.05 59.71 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 113.383 0.883 . . . . 70.35 113.383 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.495 ' HB2' HG11 ' A' ' 52' ' ' VAL . 33.3 t80 -51.44 -37.27 47.81 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.82 1.248 . . . . 74.31 113.552 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -68.23 -43.61 77.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.826 0.451 . . . . 75.33 111.807 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.414 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 5.6 m-80 -74.95 -29.68 61.0 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.168 0.587 . . . . 75.01 111.374 173.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -63.38 -42.65 98.83 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.143 0.577 . . . . 71.45 111.524 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.436 HG13 ' HE3' ' A' ' 19' ' ' MET . 97.6 t -62.9 -55.12 25.61 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 CA-C-N 115.615 -0.72 . . . . 61.22 110.821 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.444 ' HA ' HD11 ' A' ' 67' ' ' ILE . 15.9 ptt180 -66.86 -30.17 70.27 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 112.643 0.608 . . . . 75.43 112.643 -174.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.0 m -72.63 -33.15 66.43 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 122.789 0.436 . . . . 64.41 111.625 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -72.37 -38.28 68.57 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.712 0.405 . . . . 75.03 110.587 173.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.615 HG23 ' HB2' ' A' ' 23' ' ' ALA . 95.7 mt -56.51 -42.71 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 124.119 0.967 . . . . 70.34 110.831 170.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.7 t -59.0 -39.03 80.57 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.819 0.847 . . . . 75.04 111.803 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -28.84 62.26 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.069 0.548 . . . . 63.11 112.221 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.25 -15.4 60.99 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.4 0.68 . . . . 75.4 112.632 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -120.76 14.04 11.64 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.588 0.755 . . . . 74.41 111.536 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -82.46 149.83 27.38 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.388 0.675 . . . . 73.33 112.464 -170.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.46 -12.34 58.93 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.797 1.036 . . . . 71.21 113.797 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.69 -46.78 65.25 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 118.283 0.492 . . . . 74.23 111.223 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -156.01 89.33 2.84 Favored Pre-proline 0 CA--C 1.562 1.44 0 CA-C-N 116.385 -0.37 . . . . 74.32 111.144 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.98 -16.64 15.85 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.847 2.364 . . . . 71.45 112.014 168.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.53 -30.45 68.61 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.107 0.963 . . . . 55.21 111.413 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 92' ' ' ILE . 55.2 tp -53.47 -51.64 62.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.301 1.04 . . . . 73.31 111.578 178.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -56.34 -42.79 78.29 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.206 -0.907 . . . . 75.43 110.846 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -63.51 -41.49 98.52 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.386 0.674 . . . . 73.33 111.7 -178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -61.93 -42.63 99.32 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.429 0.692 . . . . 75.21 111.796 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.2 t -66.64 -39.82 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 C-N-CA 122.952 0.501 . . . . 64.14 111.13 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.99 -33.48 74.71 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.647 0.779 . . . . 74.24 111.898 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.483 ' HG ' HD13 ' A' ' 33' ' ' ILE . 71.4 m -81.47 -14.11 57.39 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.461 0.704 . . . . 71.2 112.316 177.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.8 15.84 81.27 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 114.154 0.422 . . . . 62.41 114.154 -177.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.72 -58.83 5.21 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.627 0.771 . . . . 65.2 110.335 174.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.61 118.92 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 106.743 -1.577 . . . . 73.23 106.743 162.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.3 p -71.91 145.12 88.78 Favored Pre-proline 0 N--CA 1.48 1.046 0 N-CA-C 110.246 -0.279 . . . . 74.23 110.246 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.494 ' HB2' ' HB3' ' A' ' 43' ' ' GLN . 74.2 Cg_exo -53.97 -21.15 20.26 Favored 'Trans proline' 0 CA--C 1.565 2.042 0 C-N-CA 122.583 2.188 . . . . 74.51 114.283 173.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.604 ' HG2' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -67.36 -46.91 71.98 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.58 0.752 . . . . 73.0 109.628 172.547 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.67 -50.63 71.71 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.456 0.703 . . . . 75.02 111.638 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.408 HD13 HD13 ' A' ' 78' ' ' LEU . 8.2 tp -61.92 -30.42 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 112.571 0.582 . . . . 75.44 112.571 -170.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.29 75.4 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.584 0.754 . . . . 75.22 112.546 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.4 m -94.27 -19.18 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 123.168 0.587 . . . . 75.04 112.339 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 83.9 mtp -64.25 137.65 58.04 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.485 0.55 . . . . 71.31 112.485 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.419 ' O ' ' HG3' ' A' ' 100' ' ' MET . 17.2 m -68.09 147.76 51.88 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.182 0.993 . . . . 74.4 110.831 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.541 ' HA ' ' HE2' ' A' ' 100' ' ' MET . 75.1 p -50.84 -45.22 59.54 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.081 0.952 . . . . 61.14 113.562 -175.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.08 -48.21 71.72 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 112.761 0.652 . . . . 74.13 112.761 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.16 -17.06 64.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 112.146 0.425 . . . . 75.4 112.146 -177.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.541 ' HE2' ' HA ' ' A' ' 97' ' ' SER . 39.7 mtm -70.11 -52.49 23.24 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-O 121.053 0.454 . . . . 73.21 111.257 173.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.7 -17.7 18.42 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 114.3 1.222 . . . . 73.22 114.3 -168.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.0 t -78.35 97.98 5.81 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.548 0.339 . . . . 74.54 110.977 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.16 -26.37 68.14 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.151 0.581 . . . . 74.54 111.352 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.48 -44.06 80.24 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.427 0.691 . . . . 74.12 111.189 172.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.91 -24.45 60.83 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 112.425 0.528 . . . . 72.43 112.425 177.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -72.16 -31.76 66.24 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.891 0.476 . . . . 75.41 111.642 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.13 -24.38 23.39 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.148 0.579 . . . . 74.45 111.793 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 37.4 mm -76.84 -14.45 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 123.23 0.612 . . . . 75.51 111.557 172.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 -51.82 -39.94 59.61 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.093 0.957 . . . . 74.25 113.501 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -74.71 -63.68 1.2 Allowed 'General case' 0 N--CA 1.484 1.237 0 O-C-N 122.357 -0.214 . . . . 71.14 111.353 174.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 61.12 179.2 0.11 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 124.623 1.169 . . . . 72.0 113.385 -176.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.1 ttt 58.59 35.91 24.82 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 124.25 1.02 . . . . 74.44 111.251 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.486 1.369 0 C-N-CA 124.053 0.941 . . . . 75.22 112.094 -174.08 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 110.639 -0.134 . . . . 74.04 110.639 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -72.01 119.51 16.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.749 0.42 . . . . 74.12 110.676 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.5 mtt -69.18 133.81 89.52 Favored Pre-proline 0 CA--C 1.563 1.475 0 C-N-CA 122.909 0.484 . . . . 75.11 110.826 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -59.3 143.7 99.65 Favored 'Trans proline' 0 C--N 1.377 2.038 0 C-N-CA 123.435 2.757 . . . . 75.21 115.135 -170.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.8 t -79.7 133.7 58.58 Favored Pre-proline 0 CA--C 1.562 1.421 0 C-N-CA 124.192 0.997 . . . . 64.41 109.539 173.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HG2' HH12 ' A' ' 13' ' ' ARG . 67.1 Cg_endo -71.41 161.15 46.5 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.248 1.965 . . . . 75.14 113.022 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.4 152.1 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 C-N-CA 123.715 0.806 . . . . 74.42 110.963 173.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.694 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 82.0 p -65.08 98.39 0.3 Allowed 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 121.315 0.579 . . . . 73.42 112.275 -173.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.5 m -70.88 95.39 1.15 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.434 -0.803 . . . . 74.22 110.665 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.6 t70 65.92 172.66 0.23 Allowed 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 125.184 1.393 . . . . 71.34 112.065 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HA ' ' HB3' ' A' ' 14' ' ' ASN . . . -66.5 -13.77 61.36 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.614 0.766 . . . . 71.42 112.304 174.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.0 t -57.73 -62.18 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.391 0.677 . . . . 71.05 111.277 171.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.694 ' HD2' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -73.08 -33.94 65.92 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.163 0.585 . . . . 74.53 111.382 -179.493 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.469 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 3.1 t-20 -59.34 -56.35 23.24 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.447 0.299 . . . . 74.44 110.754 177.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 19' ' ' MET . 87.0 tttt -61.71 -32.72 72.95 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.129 0.572 . . . . 65.1 111.717 178.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -58.09 -48.25 80.73 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.201 0.6 . . . . 75.41 111.94 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -63.22 -43.48 97.96 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.023 0.529 . . . . 75.22 110.143 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 60.4 mm-40 -58.02 -49.25 77.53 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.117 0.567 . . . . 74.2 112.257 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 24.5 ptt? -75.93 -28.21 57.89 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 113.154 0.798 . . . . 71.52 113.154 -176.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' A' ' 45' ' ' GLU . 55.4 mt -69.62 -32.79 71.7 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 122.105 -0.372 . . . . 72.33 111.431 169.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.488 ' HG1' ' HA ' ' A' ' 38' ' ' GLU . 79.5 m -67.2 -38.55 85.5 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 120.887 0.375 . . . . 72.24 110.288 170.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.587 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -61.3 -35.52 77.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.737 0.815 . . . . 64.23 111.721 176.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.56 -30.98 71.79 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.91 0.884 . . . . 71.32 112.427 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.7 mt -87.34 -30.74 20.59 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.812 0.671 . . . . 75.04 112.812 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.587 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 2.5 pt20 -94.82 -4.44 47.13 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 123.254 0.622 . . . . 74.22 112.215 -176.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -51.79 -34.31 39.27 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 123.717 0.807 . . . . 70.5 112.188 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -130.75 173.04 11.32 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.653 1.181 . . . . 75.33 109.735 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -95.08 35.91 1.25 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.272 0.629 . . . . 75.44 112.376 -171.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.57 -52.4 52.57 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.56 0.744 . . . . 72.21 109.882 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.479 ' HB3' HD23 ' A' ' 83' ' ' LEU . 13.2 p80 -63.68 -24.95 67.99 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 114.954 -1.021 . . . . 74.22 112.156 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -71.53 -48.89 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 122.767 0.427 . . . . 73.45 110.482 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.95 -34.58 74.95 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 115.565 -0.743 . . . . 55.31 111.938 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -81.19 -34.41 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 C-N-CA 123.796 0.838 . . . . 73.03 111.65 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.09 18.81 41.7 Favored Glycine 0 N--CA 1.481 1.693 0 C-N-CA 122.942 0.306 . . . . 74.52 113.098 -174.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.599 ' HB2' HD11 ' A' ' 40' ' ' LEU . . . -84.74 134.95 34.32 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.601 1.161 . . . . 72.11 112.416 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -82.43 97.26 8.29 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.614 0.766 . . . . 72.4 109.519 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.3 p -62.2 -35.34 78.56 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.211 0.819 . . . . 73.41 113.211 -169.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.488 ' HA ' ' HG1' ' A' ' 21' ' ' THR . 32.5 tt0 -61.14 -51.12 70.42 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.371 0.668 . . . . 65.21 111.832 173.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 60.1 ttt180 -57.72 -45.58 85.57 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 114.633 -1.167 . . . . 73.21 111.739 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 35' ' ' ALA . 58.8 mt -65.44 -46.32 80.35 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.382 0.673 . . . . 74.55 111.244 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -56.69 -38.7 72.62 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.103 0.961 . . . . 73.44 112.145 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.08 76.43 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.571 0.749 . . . . 70.42 111.892 176.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 16.2 mm-40 -77.07 -32.4 56.77 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.156 0.583 . . . . 75.21 111.002 177.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.31 -53.37 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-O 121.386 0.612 . . . . 75.15 110.923 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.451 ' HA ' HG23 ' A' ' 48' ' ' ILE . 3.1 pp20? -69.79 -31.46 69.39 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.504 -0.771 . . . . 73.22 112.992 -171.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -31.71 70.44 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 111.874 0.324 . . . . 74.42 111.874 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 90' ' ' GLN . 83.4 m -67.11 -49.54 64.59 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.169 0.588 . . . . 75.24 111.583 174.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.494 HD12 ' HG3' ' A' ' 62' ' ' ARG . 9.3 tt -71.99 -23.61 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 122.834 0.454 . . . . 74.51 111.383 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.665 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 74.5 t80 -58.91 -38.46 78.97 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.651 0.78 . . . . 74.45 111.501 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -74.13 -27.39 60.83 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.865 -0.607 . . . . 74.13 112.384 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -88.98 -56.5 3.26 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 122.753 0.421 . . . . 72.44 112.117 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -115.17 -22.28 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 C-N-CA 123.512 0.725 . . . . 74.34 112.218 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.665 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -79.06 28.01 2.27 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 117.097 1.599 . . . . 51.3 117.097 -165.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.496 HD21 ' H ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -79.31 49.68 1.0 Allowed 'General case' 0 CA--C 1.568 1.65 0 CA-C-N 117.605 0.702 . . . . 72.22 111.253 169.386 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p 41.26 70.92 0.23 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.784 1.633 . . . . 73.12 112.395 -173.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -117.04 163.06 16.81 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.019 0.527 . . . . 73.21 112.26 -164.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 70.2 mtp -60.39 -63.99 1.11 Allowed 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 125.16 1.384 . . . . 74.14 112.088 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -25.86 68.55 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 112.464 0.542 . . . . 75.23 112.464 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -52.96 -39.42 62.93 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.862 0.865 . . . . 73.05 112.822 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -60.89 -48.76 80.35 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.909 0.484 . . . . 73.53 111.869 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.42 -35.15 79.6 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.509 0.723 . . . . 73.44 111.508 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.494 ' HG3' HD12 ' A' ' 48' ' ' ILE . 6.4 tpm_? -69.91 -37.9 76.09 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.153 0.981 . . . . 74.11 111.486 -176.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.5 t -72.86 -45.08 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 123.434 0.693 . . . . 74.44 111.917 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.479 ' HA ' HD13 ' A' ' 67' ' ' ILE . 15.7 ptm180 -69.57 -28.09 65.68 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 112.162 0.43 . . . . 71.52 112.162 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -66.42 -29.29 69.41 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.001 0.52 . . . . 74.51 111.967 170.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -65.69 -53.64 38.32 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 110.044 -0.354 . . . . 74.23 110.044 168.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 64' ' ' ARG . 78.0 mt -53.18 -45.7 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 C-N-CA 124.759 1.224 . . . . 75.23 112.693 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.6 p -59.77 -50.97 71.74 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.084 0.954 . . . . 73.51 111.827 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.45 -27.17 62.15 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.683 0.793 . . . . 74.33 112.905 -177.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.96 -43.39 88.07 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.619 0.368 . . . . 72.52 111.149 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -91.95 2.38 56.58 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 112.602 0.593 . . . . 71.23 112.602 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -78.18 148.32 34.11 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.089 0.556 . . . . 72.11 111.669 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.09 -14.19 51.07 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 113.586 0.958 . . . . 63.55 113.586 -173.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.17 -27.27 63.42 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 117.937 0.335 . . . . 75.31 111.729 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -144.67 87.88 7.31 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 122.817 0.447 . . . . 72.11 109.823 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.38 -34.37 35.0 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.974 2.449 . . . . 72.14 111.654 171.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.567 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 5.7 m-20 -68.82 -15.53 63.53 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.146 -0.934 . . . . 74.03 113.091 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.88 -52.17 66.19 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.719 0.407 . . . . 74.14 111.472 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -69.53 -45.52 68.63 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.691 0.396 . . . . 75.42 110.854 172.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.567 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 38.8 ttp180 -63.97 -30.45 71.53 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.295 1.038 . . . . 73.14 113.237 -170.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.62 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 94.8 m-20 -74.93 -33.85 62.02 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.227 0.611 . . . . 72.3 111.2 176.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.5 -37.35 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 121.425 0.631 . . . . 71.21 110.466 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' A' ' 30' ' ' HIS . 67.8 mt -70.72 -37.34 73.51 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-N 115.114 -0.948 . . . . 71.32 111.689 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 26.5 p -85.98 -7.53 58.59 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 112.129 0.418 . . . . 72.31 112.129 177.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.33 11.98 82.68 Favored Glycine 0 C--N 1.35 1.36 0 N-CA-C 114.613 0.605 . . . . 64.55 114.613 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.74 -55.0 17.03 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.196 0.598 . . . . 72.25 109.995 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 74.3 mt -89.87 129.99 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 108.165 -1.05 . . . . 65.12 108.165 163.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.1 p -78.1 145.61 69.64 Favored Pre-proline 0 N--CA 1.482 1.136 0 O-C-N 122.178 -0.326 . . . . 73.41 110.211 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -51.48 -26.13 20.94 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 123.19 2.594 . . . . 63.54 114.89 176.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.445 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 1.6 tm0? -73.15 -44.77 59.56 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.095 0.558 . . . . 63.22 111.032 175.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -57.92 -56.65 19.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.409 0.683 . . . . 72.11 111.815 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.7 tp -57.43 -30.09 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 112.634 0.605 . . . . 73.45 112.634 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.95 80.46 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.466 0.706 . . . . 73.54 112.139 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.2 m -98.54 -11.64 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.479 0 N-CA-C 113.043 0.756 . . . . 73.23 113.043 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.6 mtp -69.91 127.02 31.43 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.808 0.843 . . . . 73.25 111.218 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.3 t -75.19 177.31 6.57 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.849 0.46 . . . . 63.13 111.983 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.8 p -59.06 -36.48 75.13 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.953 0.901 . . . . 71.13 111.748 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.21 -47.9 84.0 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 122.947 0.499 . . . . 72.11 110.697 173.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -64.52 -30.97 72.0 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.782 0.833 . . . . 73.31 113.076 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 70.2 mtm -73.55 -5.18 38.61 Favored 'General case' 0 CA--C 1.56 1.327 0 N-CA-C 112.208 0.447 . . . . 73.02 112.208 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -123.1 -2.72 8.61 Favored 'General case' 0 CA--C 1.563 1.474 0 C-N-CA 124.387 1.075 . . . . 64.35 111.704 170.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 65.3 m -122.66 16.65 10.32 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 124.211 1.004 . . . . 73.44 111.492 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -65.56 -19.06 65.77 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.709 0.804 . . . . 72.02 111.038 169.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -59.22 -42.26 90.6 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 124.22 1.008 . . . . 64.13 111.807 167.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.96 -15.65 56.67 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 113.967 1.099 . . . . 72.04 113.967 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -65.19 -31.39 72.55 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-O 121.38 0.61 . . . . 65.41 110.681 177.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -92.52 -44.58 8.56 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.031 0.932 . . . . 73.02 110.921 168.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.8 mm -89.63 86.16 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.306 0 CA-C-O 121.846 0.831 . . . . 73.22 111.577 -172.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -114.39 134.41 55.0 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.134 -1.062 . . . . 74.43 108.134 169.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.1 tptt 65.88 58.05 0.78 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.65 1.18 . . . . 73.15 109.703 -175.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.28 103.0 1.84 Allowed 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.076 -0.966 . . . . 72.12 111.697 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 62.9 mtm -124.7 138.06 54.31 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.171 0.988 . . . . 72.53 109.614 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 CA--C 1.566 1.581 0 C-N-CA 122.877 0.471 . . . . 54.34 111.31 178.173 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.7 p . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.598 0.237 . . . . 72.32 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -71.34 100.74 2.22 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.359 0.663 . . . . 74.43 110.744 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -70.75 140.26 86.47 Favored Pre-proline 0 CA--C 1.561 1.38 0 C-N-CA 123.246 0.618 . . . . 72.42 110.942 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.12 91.78 0.21 Allowed 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.667 2.244 . . . . 72.15 112.26 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.9 130.28 67.5 Favored Pre-proline 0 CA--C 1.563 1.476 0 C-N-CA 123.481 0.713 . . . . 75.22 110.922 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -66.37 147.56 83.07 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 122.623 2.215 . . . . 62.44 111.794 173.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 m -137.53 94.28 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 C-N-CA 123.906 0.883 . . . . 74.03 111.082 -168.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.7 m -144.09 100.17 3.51 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.178 0.591 . . . . 74.13 110.801 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.8 -42.1 13.56 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.929 0.871 . . . . 75.21 109.343 168.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -167.76 174.56 7.52 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 113.447 -1.706 . . . . 74.5 108.626 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.24 -29.81 58.78 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 123.524 0.729 . . . . 55.01 112.166 171.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.86 -52.08 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.247 0.619 . . . . 75.23 111.653 173.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -63.08 -46.91 85.17 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.437 0.295 . . . . 73.44 111.681 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 47.5 t-20 -57.59 -47.99 80.63 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.511 0.724 . . . . 75.24 110.578 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.21 -40.02 92.4 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.178 0.991 . . . . 74.21 112.013 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.568 ' HA ' ' HE3' ' A' ' 19' ' ' MET . 93.1 m -71.6 -31.66 67.17 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.026 0.53 . . . . 75.25 112.209 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -67.82 -37.31 81.8 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.463 0.305 . . . . 74.43 110.427 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 20.2 mm-40 -62.62 -33.54 75.22 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.152 -0.476 . . . . 72.13 111.344 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.568 ' HE3' ' HA ' ' A' ' 16' ' ' CYS . 50.7 mtm -75.04 -34.94 61.92 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 123.101 0.56 . . . . 61.01 111.998 174.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.14 -41.08 95.13 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.657 0.783 . . . . 72.02 111.179 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -66.23 -42.01 89.24 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.752 0.821 . . . . 64.04 109.801 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -29.11 69.24 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.333 1.053 . . . . 65.1 112.6 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB3' HG22 ' A' ' 67' ' ' ILE . . . -69.1 -30.5 68.81 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.25 0.62 . . . . 64.24 111.89 173.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.0 mt -86.7 -26.58 24.19 Favored 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 123.938 0.895 . . . . 74.22 112.381 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -111.19 29.48 7.76 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 124.667 1.187 . . . . 74.44 109.738 175.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 t -57.68 -33.66 68.59 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.923 0.889 . . . . 74.32 112.174 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -127.98 -88.99 0.54 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 107.802 -1.184 . . . . 64.04 107.802 158.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -147.68 35.58 0.86 Allowed 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.344 1.058 . . . . 73.44 109.869 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.74 -38.76 76.94 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.015 -0.993 . . . . 74.41 112.572 -170.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -70.41 -24.82 62.99 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 111.863 0.32 . . . . 71.12 111.863 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.0 t -73.81 -33.14 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 124.147 0.979 . . . . 72.31 110.604 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.05 -31.53 61.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.137 0.975 . . . . 75.14 112.849 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.5 HG23 ' HA ' ' A' ' 84' ' ' CYS . 4.5 mp -100.74 -40.5 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 123.28 0.632 . . . . 75.51 110.208 175.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.73 18.89 11.74 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-N 115.802 -0.635 . . . . 73.21 113.826 -177.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HB3' HD11 ' A' ' 40' ' ' LEU . . . -91.31 134.97 34.14 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.378 0.671 . . . . 64.22 111.309 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.563 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 11.4 m-20 -76.56 106.98 8.52 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.179 0.592 . . . . 75.35 111.357 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 p -64.41 -23.63 67.35 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.338 1.236 . . . . 74.02 114.338 -171.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.89 -40.24 63.34 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 113.212 0.819 . . . . 61.35 113.212 -177.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.563 ' HE ' ' HB2' ' A' ' 36' ' ' ASP . 30.2 ptt180 -74.83 -28.99 60.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.932 -0.48 . . . . 75.12 110.855 175.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 35' ' ' ALA . 86.2 mt -67.26 -53.39 30.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.828 0.451 . . . . 74.31 110.932 175.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.8 p -54.39 -38.19 65.89 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.123 0.969 . . . . 72.33 112.346 -176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.04 93.03 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 123.971 0.908 . . . . 61.22 112.009 175.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -70.4 -42.72 71.28 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.778 0.831 . . . . 71.31 111.989 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -59.61 -45.17 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.239 0.615 . . . . 73.41 110.154 172.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.59 -42.76 98.24 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.394 0.678 . . . . 74.32 112.08 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.59 -43.8 72.45 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.516 0.726 . . . . 65.22 112.233 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.8 m -73.84 -35.93 64.84 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.642 -0.708 . . . . 65.44 112.581 -175.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.4 tt -80.42 -26.67 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 O-C-N 122.142 -0.349 . . . . 73.42 111.083 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.89 -25.23 64.92 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 124.883 1.273 . . . . 74.43 113.025 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -51.09 -55.33 18.21 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.517 1.127 . . . . 74.33 112.316 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.94 -52.43 4.86 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.609 0.719 . . . . 72.05 111.608 172.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 59' ' ' TYR . 71.2 t -70.39 -32.71 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 114.799 -1.091 . . . . 74.31 113.802 -166.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.83 30.43 1.07 Allowed Glycine 0 N--CA 1.483 1.79 0 N-CA-C 117.089 1.596 . . . . 62.03 117.089 -169.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.56 5.62 27.0 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.274 1.03 . . . . 75.32 112.961 175.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 49.4 p 67.09 -57.33 0.42 Allowed 'General case' 0 N--CA 1.507 2.401 0 C-N-CA 126.8 2.04 . . . . 74.42 113.857 -177.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.61 129.83 43.88 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 124.304 1.041 . . . . 75.31 112.912 177.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.3 tmm? 58.11 -79.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 125.903 1.681 . . . . 72.53 114.08 172.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -59.98 -38.93 84.0 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.91 0.884 . . . . 73.11 113.097 -171.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 34.3 t80 -70.74 -31.59 68.46 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.671 0.388 . . . . 75.24 111.672 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.474 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 9.4 mmpt? -72.69 -52.46 15.12 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 122.282 -0.261 . . . . 74.13 111.54 172.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.46 HD21 ' N ' ' A' ' 61' ' ' ASN . 0.7 OUTLIER -77.41 -51.27 11.07 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.911 0.884 . . . . 74.25 112.854 -169.164 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -76.8 -27.57 55.28 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 112.568 0.581 . . . . 73.33 112.568 -173.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.2 t -72.14 -48.03 51.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 118.829 -0.605 . . . . 73.41 110.93 174.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -62.45 -35.1 78.21 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-N 118.454 0.57 . . . . 73.34 111.013 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -63.78 -44.4 93.48 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.452 0.701 . . . . 70.3 111.428 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.564 ' HG3' ' SD ' ' A' ' 100' ' ' MET . 17.8 ttm-85 -67.45 -44.24 79.13 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.759 0.423 . . . . 75.11 110.958 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.515 HG22 ' HB3' ' A' ' 23' ' ' ALA . 98.3 mt -55.48 -37.42 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 124.423 1.089 . . . . 74.3 111.488 171.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.7 t -64.24 -45.32 88.69 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.214 0.605 . . . . 75.05 111.434 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -66.83 -28.83 68.67 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 122.899 0.48 . . . . 70.41 112.058 175.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.486 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 94.0 mt -72.36 -48.85 38.47 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 122.738 0.415 . . . . 72.4 111.361 176.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' HE3' HG23 ' A' ' 67' ' ' ILE . 18.6 ptpt -82.34 4.13 25.1 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 122.796 0.438 . . . . 74.04 112.085 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -70.34 128.58 36.69 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.574 0.75 . . . . 73.52 111.559 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.44 -24.19 60.21 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.37 0.668 . . . . 62.11 112.047 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -74.77 -33.84 62.35 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 122.515 0.326 . . . . 74.22 110.915 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -113.87 81.15 5.69 Favored Pre-proline 0 N--CA 1.49 1.559 0 C-N-CA 123.377 0.671 . . . . 75.43 111.196 172.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.36 -25.74 4.53 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.082 1.855 . . . . 74.22 111.977 167.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.79 -37.68 79.45 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.258 1.023 . . . . 54.3 111.738 -174.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 58.6 tp -53.81 -56.58 16.28 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.432 0.693 . . . . 74.41 111.985 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' A' ' 70' ' ' LEU . 27.9 ptt-85 -71.79 -32.64 67.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.702 0.401 . . . . 72.3 111.33 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.467 ' HD2' HD12 ' A' ' 33' ' ' ILE . 8.6 tpt180 -58.23 -44.73 88.37 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.553 0.741 . . . . 72.01 111.127 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -65.82 -38.43 88.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.625 0.77 . . . . 72.2 111.922 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.1 t -64.27 -46.62 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-O 121.581 0.705 . . . . 73.21 110.936 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.06 -24.64 61.55 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.45 1.1 . . . . 74.13 112.098 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.5 ' HA ' HG23 ' A' ' 33' ' ' ILE . 42.9 t -87.33 -13.91 42.26 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.921 0.888 . . . . 72.45 111.55 176.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.32 -4.14 82.45 Favored Glycine 0 CA--C 1.536 1.382 0 CA-C-O 119.608 -0.551 . . . . 74.21 114.29 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.24 81.45 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.58 0.752 . . . . 72.03 111.373 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 73.9 mt -89.16 130.95 37.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 108.934 -0.765 . . . . 74.44 108.934 165.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.4 p -80.46 154.67 74.1 Favored Pre-proline 0 N--CA 1.487 1.376 0 C-N-CA 123.049 0.54 . . . . 74.23 111.238 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -47.46 -39.85 28.94 Favored 'Trans proline' 0 C--N 1.384 2.427 0 C-N-CA 123.671 2.914 . . . . 75.34 115.339 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -77.07 -39.46 49.67 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.35 0.5 . . . . 65.52 112.35 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 95' ' ' MET . 61.3 tt0 -57.21 -51.42 69.42 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.645 0.778 . . . . 71.52 112.062 -174.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.4 tp -61.8 -37.95 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 123.348 0.659 . . . . 75.3 112.438 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.42 -39.72 62.43 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.502 0.721 . . . . 71.3 112.942 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.3 m -85.02 -8.3 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 123.67 0.788 . . . . 74.13 112.032 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.439 ' HB2' ' O ' ' A' ' 91' ' ' GLN . 39.9 ttp -72.85 150.18 42.89 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.58 0.752 . . . . 71.1 112.725 -169.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.9 m -62.22 147.96 46.23 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.305 1.042 . . . . 62.12 111.782 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.556 ' HA ' ' HE1' ' A' ' 100' ' ' MET . 26.1 t -59.46 -41.44 89.72 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.914 0.886 . . . . 45.43 111.887 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -55.76 -42.11 74.97 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.725 0.81 . . . . 63.42 111.717 174.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.86 -25.35 61.92 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.075 -0.511 . . . . 74.41 112.375 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.564 ' SD ' ' HG3' ' A' ' 66' ' ' ARG . 52.1 mtm -69.29 -25.56 64.31 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.106 0.479 . . . . 70.13 110.919 173.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.71 -15.47 30.22 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.546 0.739 . . . . 62.32 112.68 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 99.2 p -150.38 34.82 0.64 Allowed 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 113.622 0.971 . . . . 62.53 113.622 -171.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.447 ' HA ' ' HE2' ' A' ' 106' ' ' LYS . 22.3 t70 -59.98 -33.7 72.3 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 121.544 0.687 . . . . 74.02 111.446 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -63.61 -41.71 98.27 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.307 -1.315 . . . . 75.43 110.791 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.8 mt -63.56 -20.11 65.37 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 113.861 1.06 . . . . 74.04 113.861 -173.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' A' ' 103' ' ' ASP . 56.7 mtmt -66.55 -13.43 60.99 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 113.056 0.761 . . . . 74.3 113.056 176.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.3 -14.85 3.75 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.726 0.811 . . . . 73.15 112.074 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.9 mm -97.3 -57.0 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 C-N-CA 123.247 0.619 . . . . 75.14 111.493 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 60.38 -80.34 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 124.935 1.294 . . . . 73.05 112.215 -173.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -146.83 93.91 2.35 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 108.004 -1.11 . . . . 75.24 108.004 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.54 -177.71 5.12 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.59 0.756 . . . . 71.22 112.384 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -162.32 152.23 16.37 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.243 1.017 . . . . 74.33 110.482 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 39.7 p . . . . . 0 N--CA 1.495 1.8 0 C-N-CA 123.276 0.63 . . . . 73.11 110.704 173.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.475 0.178 . . . . 74.21 111.059 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -74.43 96.1 2.83 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.151 0.581 . . . . 75.22 110.167 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.4 mtt -125.81 136.27 28.18 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 123.621 0.768 . . . . 72.11 110.467 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -46.21 112.47 0.46 Allowed 'Trans proline' 0 C--N 1.384 2.436 0 C-N-CA 123.679 2.919 . . . . 73.44 114.304 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.5 t -65.79 124.22 86.92 Favored Pre-proline 0 CA--C 1.559 1.321 0 C-N-CA 123.769 0.828 . . . . 72.11 111.113 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -65.19 -169.85 0.14 Allowed 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 123.139 2.559 . . . . 72.03 114.305 173.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.87 158.27 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.644 0.778 . . . . 72.14 111.444 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -86.34 165.49 16.36 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.247 0.619 . . . . 72.15 111.312 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 13' ' ' ARG . 92.9 m -145.56 153.51 41.16 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 112.709 0.633 . . . . 75.31 112.709 -172.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 58.0 -169.83 0.11 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.718 1.207 . . . . 64.31 113.407 172.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.71 -13.07 34.83 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.249 0.62 . . . . 73.42 110.892 168.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.0 t -70.49 -63.67 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.14 0.576 . . . . 71.52 110.693 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 9' ' ' CYS . 29.4 ttt180 -74.68 -44.42 50.26 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 115.764 -0.653 . . . . 64.51 112.589 -175.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -62.73 -39.86 95.39 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 112.084 0.402 . . . . 72.24 112.084 -173.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.83 -33.96 76.76 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.022 -0.535 . . . . 74.34 111.126 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 71.5 m -61.67 -41.96 98.27 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.832 0.453 . . . . 74.34 111.574 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -58.65 -49.0 79.13 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.32 0.648 . . . . 73.44 110.624 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.68 -25.92 67.55 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.195 0.813 . . . . 72.44 113.195 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.1 mtm -75.54 -34.46 60.75 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 123.236 0.615 . . . . 74.24 112.128 171.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 91.7 mt -69.35 -34.44 74.61 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.061 0.458 . . . . 75.54 110.422 173.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -66.45 -43.71 84.81 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.857 0.863 . . . . 72.34 109.649 171.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.38 70.31 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.377 1.071 . . . . 75.03 112.323 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -60.62 -42.61 97.2 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.625 0.726 . . . . 71.31 111.563 171.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 76.0 mt -82.28 -19.26 39.85 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 114.969 -1.014 . . . . 73.41 112.856 -175.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -122.48 20.61 10.35 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 123.519 0.728 . . . . 65.32 111.57 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.413 HG23 ' HB2' ' A' ' 71' ' ' LYS . 13.7 t -59.46 -30.62 68.64 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 123.571 0.748 . . . . 73.45 112.161 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -111.07 -89.17 0.5 Allowed 'General case' 0 CA--C 1.557 1.245 0 N-CA-C 107.708 -1.219 . . . . 63.42 107.708 166.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -165.93 40.55 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.222 1.809 . . . . 75.14 107.632 168.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.93 -56.0 26.27 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.692 0.797 . . . . 74.31 112.516 -166.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.651 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 20.2 m-70 -76.82 -24.21 52.77 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 112.62 0.6 . . . . 75.24 112.62 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.68 -32.9 57.15 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 0 C-N-CA 124.385 1.074 . . . . 75.51 111.632 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.67 -48.08 66.75 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.55 1.14 . . . . 71.53 113.048 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.619 HD13 HD21 ' A' ' 83' ' ' LEU . 58.9 mt -91.77 -13.84 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.508 0.723 . . . . 71.14 111.139 178.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.58 22.25 34.68 Favored Glycine 0 N--CA 1.48 1.583 0 O-C-N 122.042 -0.411 . . . . 74.43 113.674 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.52 113.33 21.15 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.51 0.724 . . . . 74.25 110.342 175.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.38 107.58 0.51 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.196 0.599 . . . . 73.53 111.688 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 30' ' ' HIS . 57.0 m -56.69 -34.56 67.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.943 0.897 . . . . 74.21 112.107 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.7 -45.04 88.28 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.627 1.171 . . . . 74.34 113.666 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -69.13 -30.77 69.09 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 120.963 0.411 . . . . 75.35 111.194 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.19 -55.79 12.64 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.595 0.758 . . . . 72.34 109.439 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -59.04 -30.15 67.81 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.415 1.486 . . . . 74.21 113.447 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.37 93.62 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.259 0.624 . . . . 75.44 111.188 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 97.3 mt-30 -76.74 -34.74 58.06 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.826 -0.625 . . . . 63.53 112.016 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.0 -45.01 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 122.863 0.465 . . . . 63.31 109.887 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.89 -54.0 52.09 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.823 0.849 . . . . 74.34 111.492 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 71.4 mm-40 -55.49 -47.34 76.32 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 112.765 0.654 . . . . 73.43 112.765 -177.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.521 ' SG ' ' HG2' ' A' ' 90' ' ' GLN . 64.0 m -67.69 -40.16 84.37 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.457 0.703 . . . . 75.51 112.587 -175.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 62' ' ' ARG . 14.4 tt -76.34 -25.38 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 120.683 0.277 . . . . 73.35 110.789 174.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.621 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 24.1 t80 -71.89 -35.89 69.88 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.499 0.72 . . . . 73.02 111.452 -177.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 15.9 mmp_? -58.18 -51.77 68.33 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.263 0.625 . . . . 74.52 111.691 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -85.63 -55.78 3.82 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.471 0.709 . . . . 73.53 112.103 -174.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.539 HG13 ' HA ' ' A' ' 59' ' ' TYR . 21.4 t -96.12 -38.29 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 123.275 0.63 . . . . 75.35 111.982 -172.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.621 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -79.57 32.78 2.1 Favored Glycine 0 C--N 1.342 0.915 0 N-CA-C 116.381 1.312 . . . . 71.12 116.381 -168.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -76.84 38.9 0.21 Allowed 'General case' 0 CA--C 1.573 1.841 0 CA-C-N 117.681 0.741 . . . . 73.02 111.898 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.3 p 38.16 72.01 0.14 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 125.755 1.622 . . . . 75.55 112.648 -172.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -139.91 171.92 13.51 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.348 -0.842 . . . . 74.24 110.481 -172.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -55.31 -44.12 75.49 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 113.399 0.889 . . . . 74.22 113.399 -175.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -29.63 67.17 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 112.801 0.667 . . . . 64.24 112.801 -177.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.539 ' HA ' HG13 ' A' ' 52' ' ' VAL . 8.3 t80 -54.03 -36.78 63.39 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 124.424 1.09 . . . . 75.11 113.78 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -64.49 -54.66 28.9 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 111.875 0.324 . . . . 74.31 111.875 -178.248 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -70.96 -29.02 64.91 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.892 0.477 . . . . 75.11 112.026 -175.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.453 ' HB3' HD13 ' A' ' 48' ' ' ILE . 10.3 mpt_? -69.01 -40.29 78.77 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.552 0.341 . . . . 75.11 111.251 176.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 67' ' ' ILE . 54.1 t -64.14 -47.75 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 O-C-N 123.183 0.302 . . . . 75.34 110.379 171.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.584 ' HA ' HD11 ' A' ' 67' ' ' ILE . 68.9 mtp180 -65.65 -30.68 71.41 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.267 0.627 . . . . 74.43 112.634 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.1 t -74.79 -39.94 61.43 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.058 0.543 . . . . 65.13 110.225 174.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' NH1' ' SD ' ' A' ' 100' ' ' MET . 5.3 tpm_? -57.76 -42.33 83.8 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.515 0.726 . . . . 72.33 110.565 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.584 HD11 ' HA ' ' A' ' 64' ' ' ARG . 62.6 mt -61.62 -54.69 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.975 0.91 . . . . 75.22 110.528 173.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 t -52.62 -43.19 65.23 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 125.101 1.36 . . . . 72.31 113.046 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -75.06 -27.63 60.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.677 0.791 . . . . 74.44 112.283 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.531 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 79.2 mt -83.59 -10.95 57.91 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.019 0.528 . . . . 73.24 111.996 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HB2' HG23 ' A' ' 26' ' ' THR . 14.3 ptmm? -121.95 7.57 9.84 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.426 0.691 . . . . 75.0 111.896 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.38 134.72 49.37 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 112.64 0.607 . . . . 73.11 112.64 -170.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.02 -39.1 56.42 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.879 0.872 . . . . 65.32 111.616 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -71.71 -30.98 66.25 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.04 0.536 . . . . 75.51 111.276 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -124.33 78.61 60.99 Favored Pre-proline 0 CA--C 1.561 1.388 0 C-N-CA 123.746 0.818 . . . . 73.43 110.073 174.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -88.04 -3.98 7.01 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 123.257 2.638 . . . . 73.12 112.697 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.5 -43.42 98.87 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.685 0.794 . . . . 64.2 110.303 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.51 HD22 ' HB3' ' A' ' 100' ' ' MET . 47.4 tp -57.72 -41.88 82.69 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.759 0.824 . . . . 73.13 112.382 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 17.1 mtp180 -52.85 -49.58 65.49 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.743 0.817 . . . . 73.2 110.946 175.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -66.26 -39.76 89.67 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 125.137 1.375 . . . . 75.03 112.815 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.573 ' HB3' HD11 ' A' ' 87' ' ' ILE . 6.5 m-20 -69.81 -36.86 76.01 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.814 0.846 . . . . 74.42 112.095 -176.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.6 t -83.22 -24.05 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 C-N-CA 123.228 0.611 . . . . 73.14 110.628 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.619 HD21 HD13 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -59.03 -55.37 36.03 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.425 1.09 . . . . 64.33 111.222 177.373 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 28.8 p -80.88 -6.36 58.53 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.396 -0.82 . . . . 75.24 112.036 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.33 29.21 50.66 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 114.245 0.458 . . . . 70.12 114.245 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.89 -40.9 78.93 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.005 0.522 . . . . 74.53 110.951 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' A' ' 81' ' ' ASN . 2.3 mp -100.75 133.14 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.852 0.861 . . . . 73.11 108.95 171.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.4 p -78.41 148.4 73.8 Favored Pre-proline 0 N--CA 1.487 1.412 0 C-N-CA 122.581 0.352 . . . . 74.32 111.044 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.421 ' HB2' ' HB2' ' A' ' 43' ' ' GLN . 71.5 Cg_exo -55.05 -20.73 24.55 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 123.411 2.74 . . . . 75.1 115.123 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.521 ' HG2' ' SG ' ' A' ' 47' ' ' CYS . 22.6 tm0? -74.09 -47.92 33.23 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.48 0.312 . . . . 70.12 110.288 174.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -62.25 -49.18 76.72 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 115.989 -0.551 . . . . 72.51 111.644 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.434 HD11 HD13 ' A' ' 78' ' ' LEU . 8.7 tp -57.84 -29.3 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.501 0 N-CA-C 112.764 0.654 . . . . 72.32 112.764 -175.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.72 -32.89 73.01 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.361 0.664 . . . . 74.11 112.258 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.6 m -106.47 -7.16 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 113.398 0.888 . . . . 73.12 113.398 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 88.5 mtp -73.93 132.2 42.21 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 112.409 0.522 . . . . 71.43 112.409 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.478 ' HB ' ' HG2' ' A' ' 99' ' ' GLU . 16.6 m -70.39 161.8 29.81 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.861 1.264 . . . . 72.51 110.996 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.6 p -50.04 -45.23 52.01 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.401 1.081 . . . . 72.1 113.278 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.48 -32.55 71.51 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.379 0.671 . . . . 65.22 112.64 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.478 ' HG2' ' HB ' ' A' ' 96' ' ' THR . 9.6 mm-40 -68.37 -38.71 81.65 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.77 0.795 . . . . 74.22 110.387 177.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.51 ' HB3' HD22 ' A' ' 78' ' ' LEU . 74.4 mtm -76.65 -14.87 59.94 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.716 -1.129 . . . . 70.44 112.769 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.74 63.76 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.145 0.578 . . . . 65.22 111.753 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 76.5 p 53.88 19.94 2.15 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 125.874 1.67 . . . . 72.4 114.583 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.21 -28.83 63.21 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.035 0.934 . . . . 65.04 112.76 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -54.88 -40.01 69.29 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.396 1.078 . . . . 72.33 111.839 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.9 mt -78.26 -19.67 53.22 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.952 1.093 . . . . 72.33 113.952 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -65.34 -22.6 66.84 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 114.324 1.231 . . . . 73.01 114.324 -170.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -107.23 -1.83 21.41 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 118.418 0.554 . . . . 75.4 112.474 176.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.2 mm -79.55 -14.6 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 C-N-CA 123.005 0.522 . . . . 62.41 111.153 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 72.79 -66.76 0.29 Allowed 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 125.402 1.481 . . . . 73.2 113.037 173.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -140.16 105.3 5.01 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.592 0.757 . . . . 74.02 109.73 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -125.61 140.05 53.06 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.866 0.866 . . . . 72.53 111.175 -172.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 21.0 ptp -162.4 -27.7 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.378 0.671 . . . . 73.43 112.229 -177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.4 p . . . . . 0 CA--C 1.562 1.439 0 C-N-CA 123.12 0.568 . . . . 74.4 111.658 -178.216 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.1 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.65 0.262 . . . . 73.41 110.93 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -140.35 99.07 3.56 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.711 0.805 . . . . 71.1 110.151 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.1 ptm -159.88 149.87 14.92 Favored Pre-proline 0 N--CA 1.488 1.435 0 C-N-CA 123.829 0.852 . . . . 74.3 110.603 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.5 176.26 10.11 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.578 2.185 . . . . 72.34 112.566 172.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.1 m -67.63 147.09 98.72 Favored Pre-proline 0 CA--C 1.567 1.613 0 C-N-CA 123.026 0.53 . . . . 74.2 111.051 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 46' ' ' GLU . 79.3 Cg_endo -73.01 155.88 52.46 Favored 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.506 2.137 . . . . 70.54 113.157 -175.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.0 m -62.77 148.22 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 123.595 0.758 . . . . 73.33 111.642 175.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.612 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . 48.9 p -63.43 -38.69 92.12 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.57 0.748 . . . . 72.22 112.716 -172.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.657 ' HB3' HH11 ' A' ' 13' ' ' ARG . 42.8 t 56.08 102.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.891 1.276 . . . . 73.23 111.99 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 65.98 -78.02 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.816 1.246 . . . . 73.53 109.521 -166.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.16 10.39 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.029 1.332 . . . . 73.34 110.321 172.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -75.34 -41.56 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 113.458 0.91 . . . . 71.24 113.458 -162.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.657 HH11 ' HB3' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -57.79 -51.27 70.27 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.849 -0.426 . . . . 71.54 109.849 172.093 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.55 -32.96 70.82 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.305 1.042 . . . . 72.32 112.019 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -73.52 -33.06 64.58 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.336 0.655 . . . . 73.35 111.155 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.1 m -71.82 -39.46 69.77 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.349 -0.387 . . . . 75.14 110.614 173.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -62.13 -46.92 86.86 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.98 0.512 . . . . 74.45 111.54 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.81 -35.45 74.71 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 112.145 0.424 . . . . 70.15 112.145 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.8 mtm -74.64 -44.04 52.42 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.145 0.578 . . . . 72.45 112.302 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.54 -48.69 79.87 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.495 0.718 . . . . 53.5 110.976 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.452 HG21 ' SG ' ' A' ' 37' ' ' CYS . 85.7 m -61.11 -36.87 80.86 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.821 1.248 . . . . 73.41 111.817 176.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -30.96 70.92 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.053 0.541 . . . . 71.45 112.16 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.608 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -68.91 -37.06 78.71 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.693 0.397 . . . . 72.31 110.843 170.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD23 ' HG2' ' A' ' 79' ' ' ARG . 73.3 mt -73.85 -7.68 53.17 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 123.677 0.791 . . . . 62.32 112.022 173.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.473 ' HG2' ' CD2' ' A' ' 30' ' ' HIS . 43.1 mt-30 -120.58 23.5 10.77 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.838 1.255 . . . . 73.11 111.149 173.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.1 t -58.84 -30.11 67.43 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.573 0.583 . . . . 74.24 112.573 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -133.59 34.95 3.42 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.011 0.924 . . . . 64.35 109.27 170.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.6 m170 58.32 33.36 23.06 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.908 1.283 . . . . 74.24 111.7 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.92 -45.46 90.3 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.764 1.225 . . . . 74.41 113.208 -163.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.473 ' CD2' ' HG2' ' A' ' 25' ' ' GLN . 2.8 p80 -58.96 -23.49 61.63 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 123.946 0.898 . . . . 74.22 113.203 -176.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.28 -54.43 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.317 0.647 . . . . 74.41 110.594 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.64 69.48 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.554 0.742 . . . . 72.15 112.097 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.0 mt -79.44 -32.05 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 C-N-CA 123.432 0.693 . . . . 75.03 111.493 175.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.5 50.68 5.58 Favored Glycine 0 CA--C 1.535 1.343 0 N-CA-C 113.834 0.294 . . . . 52.23 113.834 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 30' ' ' HIS . . . -135.87 137.1 41.13 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.658 0.783 . . . . 72.24 110.316 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.95 97.83 2.9 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.232 0.539 . . . . 61.33 110.853 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.452 ' SG ' HG21 ' A' ' 21' ' ' THR . 13.0 p -63.69 -33.42 75.61 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.181 0.992 . . . . 72.22 112.181 -178.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.36 -35.29 80.52 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.68 0.792 . . . . 73.21 112.002 174.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -70.55 -43.61 69.16 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.746 0.818 . . . . 73.55 109.68 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.486 HD12 HD22 ' A' ' 83' ' ' LEU . 74.3 mt -62.87 -45.06 94.32 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.865 -0.607 . . . . 71.42 110.728 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 29.9 t -64.59 -30.63 71.66 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.83 0.852 . . . . 73.25 112.027 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.77 94.39 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.185 0.594 . . . . 65.52 111.805 174.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -73.46 -33.17 64.74 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 115.725 -0.671 . . . . 73.41 110.958 175.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.48 -39.8 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.908 0.883 . . . . 70.01 111.294 174.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 41' ' ' SER . 46.7 mt-10 -52.67 -49.96 64.22 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.6 0.76 . . . . 75.4 112.407 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -73.16 -33.31 65.4 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.71 0.404 . . . . 70.43 111.77 -179.446 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.0 m -70.45 -34.47 72.48 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.425 0.69 . . . . 74.12 112.689 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' A' ' 52' ' ' VAL . 14.9 tt -83.37 -30.38 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 N-CA-C 109.626 -0.509 . . . . 75.43 109.626 175.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -57.94 -25.56 61.1 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.55 1.14 . . . . 74.52 113.002 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -55.41 -68.04 0.23 Allowed 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.046 0.938 . . . . 74.24 112.301 -177.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.87 -32.8 15.89 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.126 0.57 . . . . 71.14 112.135 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.633 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 94.2 t -94.83 -23.31 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 113.537 0.94 . . . . 72.33 113.537 -168.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.04 29.53 1.11 Allowed Glycine 0 CA--C 1.545 1.932 0 N-CA-C 116.467 1.347 . . . . 63.23 116.467 -171.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -74.76 -15.95 60.75 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.857 0.863 . . . . 74.23 112.407 175.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.3 p 55.43 34.14 22.36 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 125.601 1.561 . . . . 74.11 113.261 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -103.52 -53.56 2.76 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 123.757 0.823 . . . . 71.15 112.023 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 42.4 ttm -163.96 -41.14 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.302 1.041 . . . . 74.41 110.539 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.633 ' HD2' ' HA ' ' A' ' 52' ' ' VAL . 38.6 ttmt -53.69 -43.1 68.67 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.292 0.637 . . . . 74.32 110.874 176.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.478 ' HA ' HG13 ' A' ' 52' ' ' VAL . 51.3 t80 -62.39 -33.71 75.29 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.19 0.996 . . . . 71.43 112.946 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 34.7 mmtp -72.71 -55.21 7.13 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 122.4 0.28 . . . . 73.52 111.473 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -70.19 -43.28 71.07 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.648 0.779 . . . . 72.14 111.936 -171.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -57.97 -46.07 85.73 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.471 0.708 . . . . 74.02 112.25 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.09 -45.58 98.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 C-N-CA 123.085 0.554 . . . . 73.03 111.076 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 9.6 mmm180 -57.32 -48.8 78.02 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.386 0.674 . . . . 75.34 112.291 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 t -67.55 -40.22 84.99 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.402 0.681 . . . . 74.24 111.83 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -47.7 74.28 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.594 0.757 . . . . 74.5 111.571 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.608 HG23 ' HB2' ' A' ' 23' ' ' ALA . 94.3 mt -57.28 -41.92 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 123.753 0.821 . . . . 73.31 111.087 173.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 t -60.77 -41.13 94.92 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 115.58 -0.736 . . . . 74.22 111.888 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -71.34 -29.92 65.56 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.45 0.7 . . . . 70.25 112.418 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.26 -31.37 72.55 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.982 0.513 . . . . 72.3 112.054 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -107.75 0.06 22.05 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.763 0.825 . . . . 73.11 112.052 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.18 146.64 31.67 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.074 0.55 . . . . 74.02 111.974 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.51 -16.91 61.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.402 0.89 . . . . 73.13 113.402 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -75.76 -25.79 56.82 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 117.869 0.304 . . . . 74.14 111.397 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -152.83 68.88 6.94 Favored Pre-proline 0 CA--C 1.568 1.668 0 C-N-CA 123.355 0.662 . . . . 75.45 112.063 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.97 -20.96 11.26 Favored 'Trans proline' 0 C--N 1.383 2.352 0 C-N-CA 122.549 2.166 . . . . 75.45 112.608 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.29 -17.86 61.84 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.794 0.838 . . . . 70.24 111.702 175.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.0 tp -53.96 -53.77 48.24 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.954 0.902 . . . . 72.25 111.345 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.585 ' HG2' HD23 ' A' ' 24' ' ' LEU . 1.8 tmm_? -61.58 -42.56 99.03 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.531 1.132 . . . . 73.35 112.106 176.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -61.73 -45.95 91.72 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.563 0.745 . . . . 73.31 111.559 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -65.48 -32.52 74.17 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.179 0.992 . . . . 74.42 112.754 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.85 -44.87 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-O 121.137 0.494 . . . . 72.41 110.508 174.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.486 HD22 HD12 ' A' ' 40' ' ' LEU . 76.3 mt -70.29 -32.01 69.6 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 115.276 -0.875 . . . . 75.34 111.829 177.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.9 m -81.22 -9.06 59.85 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.648 0.779 . . . . 71.51 112.137 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.8 -1.65 88.48 Favored Glycine 0 CA--C 1.539 1.577 0 N-CA-C 114.256 0.462 . . . . 64.31 114.256 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.47 -30.71 70.49 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.777 0.831 . . . . 71.21 111.694 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 68.5 mt -117.34 127.19 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.169 0.987 . . . . 72.25 108.56 169.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.3 p -75.41 151.82 85.48 Favored Pre-proline 0 N--CA 1.492 1.668 0 CA-C-O 119.547 -0.263 . . . . 74.51 110.938 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -49.41 -31.08 22.29 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 123.342 2.695 . . . . 64.53 114.522 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -74.18 -46.61 41.09 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 119.483 -0.294 . . . . 71.31 111.413 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -54.55 -55.16 32.09 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.278 0.631 . . . . 73.51 111.649 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.2 tp -63.38 -29.83 48.24 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.576 0 N-CA-C 112.746 0.647 . . . . 73.43 112.746 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.95 34.53 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 112.503 0.557 . . . . 75.45 112.503 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.4 m -83.6 -25.41 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 C-N-CA 123.293 0.637 . . . . 74.51 112.189 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 48.4 ttp -67.12 126.11 28.14 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.402 0.681 . . . . 70.13 111.663 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -84.29 170.18 13.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.903 0.481 . . . . 75.33 110.916 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -62.02 -30.64 71.1 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.743 0.817 . . . . 75.14 112.908 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.42 -52.01 67.4 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.09 0.556 . . . . 75.23 111.624 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.57 -43.4 80.71 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.723 0.809 . . . . 74.11 110.783 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.8 ttm -66.15 -26.05 67.25 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 114.253 -1.34 . . . . 74.41 112.257 -176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.11 8.75 14.55 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.727 0.811 . . . . 64.54 112.468 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.7 t -57.53 113.69 1.91 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.5 0.72 . . . . 72.41 112.705 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.62 -23.22 67.29 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.13 0.972 . . . . 75.34 112.367 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.43 -49.26 77.92 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.548 0.739 . . . . 64.53 110.799 170.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 69.4 mt -76.39 -21.17 56.37 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.141 0.793 . . . . 73.11 113.141 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -61.46 -40.74 95.6 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.507 0.723 . . . . 72.23 111.903 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -92.19 -9.31 42.78 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.114 0.566 . . . . 71.23 112.408 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 51.0 mm -97.72 103.99 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.117 0.567 . . . . 73.51 110.242 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -72.27 -46.94 53.72 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.321 0.581 . . . . 74.01 110.593 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -158.98 -37.78 0.06 Allowed 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.14 -0.936 . . . . 75.11 110.478 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.62 95.69 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.337 1.055 . . . . 65.14 112.913 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 84.6 mtp -87.81 65.71 8.48 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.721 0.808 . . . . 74.13 110.221 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 CA--C 1.57 1.748 0 C-N-CA 123.783 0.833 . . . . 71.23 111.266 -175.914 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 110.578 -0.156 . . . . 73.53 110.578 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -126.09 -65.23 1.0 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.084 0.954 . . . . 73.2 109.855 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 66.44 149.97 0.12 Allowed Pre-proline 0 N--CA 1.495 1.814 0 C-N-CA 124.748 1.219 . . . . 75.02 112.421 -176.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -50.96 136.53 44.23 Favored 'Trans proline' 0 C--N 1.382 2.298 0 C-N-CA 122.82 2.347 . . . . 70.5 113.705 177.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.536 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 8.4 p -52.96 133.73 48.84 Favored Pre-proline 0 CA--C 1.567 1.625 0 C-N-CA 124.057 0.943 . . . . 75.23 112.323 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.74 151.37 56.22 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 122.748 2.299 . . . . 71.42 113.25 176.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.6 m -94.48 150.07 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.784 0.834 . . . . 74.24 111.354 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.728 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . 5.5 t -75.6 -39.74 57.53 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.732 -0.667 . . . . 73.32 112.635 -177.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.8 m 63.71 -72.15 0.06 Allowed 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 125.301 1.441 . . . . 75.34 112.653 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -99.82 -72.16 0.67 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.4 0.68 . . . . 65.34 110.25 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.84 -25.09 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.036 0.754 . . . . 70.32 113.036 -174.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.04 -49.32 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 113.778 1.029 . . . . 74.53 113.778 -169.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.728 ' HB2' ' HA ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -71.56 -43.05 67.05 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 122.798 0.439 . . . . 75.34 111.05 -178.726 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -61.58 -32.54 72.65 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.858 0.463 . . . . 73.53 111.196 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.04 -51.64 63.2 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.871 0.868 . . . . 74.31 110.999 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -60.31 -39.8 88.25 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.347 0.659 . . . . 74.4 111.301 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -63.13 -45.69 90.78 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.475 1.11 . . . . 72.13 111.705 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -64.19 -40.15 95.5 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.845 0.858 . . . . 74.24 111.898 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.445 ' HB3' HD11 ' A' ' 67' ' ' ILE . 59.5 mtm -74.31 -42.01 60.2 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 122.92 0.488 . . . . 75.42 111.977 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.57 -41.91 98.08 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 122.813 0.445 . . . . 75.11 110.791 174.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 93.0 m -62.54 -40.46 96.88 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.262 0.625 . . . . 62.51 111.054 173.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.59 71.95 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.657 0.783 . . . . 75.22 112.137 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.71 ' HB3' HG22 ' A' ' 67' ' ' ILE . . . -61.06 -45.32 95.24 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.927 0.491 . . . . 72.33 110.547 170.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.455 HD21 ' HG3' ' A' ' 79' ' ' ARG . 42.8 mt -75.24 -18.44 60.1 Favored 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 123.954 0.902 . . . . 73.21 112.28 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.536 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 27.5 mm-40 -86.89 -16.21 36.69 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.073 0.949 . . . . 73.11 113.042 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 23' ' ' ALA . 15.0 t -57.92 -33.18 68.51 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.679 0.622 . . . . 75.13 112.679 -173.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -132.47 157.31 44.95 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.856 0.862 . . . . 73.44 109.732 169.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -87.82 37.41 0.8 Allowed 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 112.843 0.683 . . . . 74.31 112.843 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.89 -40.29 92.5 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 120.964 0.412 . . . . 75.55 110.722 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -60.2 -32.21 70.89 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 115.446 -0.797 . . . . 74.22 112.474 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -74.33 -45.96 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 123.236 0.614 . . . . 74.13 110.61 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.4 94.08 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.243 1.017 . . . . 62.32 112.517 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.51 HG23 ' HA ' ' A' ' 84' ' ' CYS . 81.4 mt -80.55 -34.42 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 C-N-CA 123.925 0.89 . . . . 73.01 110.947 177.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.92 31.02 9.58 Favored Glycine 0 N--CA 1.476 1.339 0 CA-C-N 116.548 -0.296 . . . . 74.4 113.613 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 134.92 54.18 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.777 0.831 . . . . 73.05 111.043 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -76.27 99.88 4.92 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.264 0.554 . . . . 65.12 109.923 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.536 ' SG ' ' NE2' ' A' ' 25' ' ' GLN . 24.5 p -65.49 -23.7 66.97 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.596 0.758 . . . . 74.23 112.987 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.3 -40.72 74.07 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.335 0.654 . . . . 75.54 112.198 -171.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.34 -29.06 42.1 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 117.469 0.122 . . . . 75.33 110.731 176.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 44' ' ' ILE . 95.0 mt -59.07 -41.03 86.99 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.253 0.621 . . . . 64.44 110.953 173.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.7 t -60.58 -42.8 97.43 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.615 1.166 . . . . 73.05 112.461 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.88 -32.15 73.5 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.08 0.552 . . . . 71.42 111.484 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -73.31 -31.84 64.26 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.528 0.731 . . . . 73.31 112.024 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 40' ' ' LEU . 78.4 mt -63.46 -40.7 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 109.246 -0.65 . . . . 65.22 109.246 169.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' HA ' HG23 ' A' ' 48' ' ' ILE . 34.6 tt0 -61.96 -39.63 92.78 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.869 -0.605 . . . . 72.25 111.509 176.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.536 ' HG2' ' HA ' ' A' ' 5' ' ' VAL . 95.1 mt-10 -51.52 -42.97 62.14 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.077 0.551 . . . . 73.43 111.648 175.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.8 -50.38 12.45 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.507 -0.769 . . . . 71.22 112.665 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.491 HG23 ' HA ' ' A' ' 45' ' ' GLU . 13.8 tt -77.52 -26.58 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 123.008 0.523 . . . . 72.54 112.39 -170.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -68.93 -26.65 65.18 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.42 0.688 . . . . 74.32 111.635 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -65.18 -43.97 89.98 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 120.832 0.349 . . . . 75.53 110.973 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -85.71 -54.54 4.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.801 0.84 . . . . 72.22 112.144 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.489 HG12 ' HD3' ' A' ' 58' ' ' LYS . 2.5 t -99.56 -14.42 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 124.221 1.008 . . . . 73.33 112.672 -169.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.1 27.79 1.43 Allowed Glycine 0 N--CA 1.48 1.629 0 N-CA-C 116.555 1.382 . . . . 63.32 116.555 -169.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -78.54 5.94 9.75 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 124.353 1.061 . . . . 74.51 112.224 170.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.2 p 66.54 13.74 9.42 Favored 'General case' 0 N--CA 1.503 2.184 0 C-N-CA 126.209 1.804 . . . . 64.01 114.23 171.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -70.67 170.86 11.44 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.436 0.694 . . . . 64.23 110.436 172.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.9 mmt -57.18 -25.96 59.85 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.587 0.755 . . . . 74.43 112.496 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.489 ' HD3' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -59.11 -36.75 75.71 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.429 0.692 . . . . 73.24 112.003 172.489 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -70.99 -37.4 72.7 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.705 0.802 . . . . 74.43 111.559 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -40.13 62.91 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 122.912 0.485 . . . . 74.41 111.323 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -74.28 -50.81 17.35 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.96 0.904 . . . . 74.11 112.493 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -64.72 -34.86 79.32 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.026 0.531 . . . . 74.25 111.789 -175.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.7 t -67.43 -55.07 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 C-N-CA 122.916 0.486 . . . . 65.35 110.925 174.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.638 ' HA ' HD12 ' A' ' 67' ' ' ILE . 7.5 ptp180 -63.75 -33.23 75.19 Favored 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 112.836 0.68 . . . . 74.22 112.836 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.7 t -67.4 -36.57 81.55 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.356 0.662 . . . . 73.2 111.102 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -73.59 -36.21 65.51 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.031 -0.986 . . . . 73.14 110.962 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.71 HG22 ' HB3' ' A' ' 23' ' ' ALA . 83.9 mt -60.24 -45.12 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 125.06 1.344 . . . . 73.54 111.358 171.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.6 t -60.03 -40.62 89.97 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.453 -0.794 . . . . 54.54 110.663 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.78 -36.54 84.65 Favored 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.842 1.257 . . . . 74.44 112.688 175.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.38 -38.83 88.42 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.192 0.597 . . . . 75.55 112.01 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -98.05 8.38 44.86 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.491 0.716 . . . . 74.23 112.129 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -69.19 150.99 46.88 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.509 0.723 . . . . 72.45 112.134 -172.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.7 -24.82 56.28 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.622 0.769 . . . . 74.34 113.008 -175.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -69.73 -42.3 74.14 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.885 0.474 . . . . 75.1 111.465 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.52 ' ND2' ' HB3' ' A' ' 103' ' ' ASP . 59.2 t30 -155.38 89.91 2.96 Favored Pre-proline 0 CA--C 1.561 1.376 0 C-N-CA 122.638 0.375 . . . . 74.22 111.549 176.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -86.45 -7.16 7.83 Favored 'Trans proline' 0 CA--C 1.561 1.842 0 C-N-CA 123.05 2.5 . . . . 73.24 112.636 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.93 -22.15 59.78 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.153 0.981 . . . . 72.53 111.387 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 tp -51.46 -51.67 53.01 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.818 1.247 . . . . 75.34 111.17 168.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.455 ' HG3' HD21 ' A' ' 24' ' ' LEU . 36.0 ttp85 -60.47 -41.91 95.14 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.011 -1.45 . . . . 75.22 111.753 177.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -65.57 -32.93 74.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.939 0.496 . . . . 75.44 111.784 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -65.4 -35.43 80.92 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.935 0.494 . . . . 70.41 111.198 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.51 -42.06 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 123.034 0.534 . . . . 73.31 110.415 173.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.6 mt -70.19 -23.11 62.9 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.098 0.959 . . . . 75.41 112.281 178.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.51 ' HA ' HG23 ' A' ' 33' ' ' ILE . 54.0 t -86.02 -13.29 47.94 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.729 0.811 . . . . 75.44 111.609 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.19 9.42 86.08 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-O 120.091 -0.283 . . . . 65.42 113.652 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.33 -43.93 66.06 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.751 0.82 . . . . 73.54 110.522 174.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 59.6 mt -103.56 125.85 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.66 0.784 . . . . 74.21 109.052 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.3 p -83.43 154.74 66.16 Favored Pre-proline 0 N--CA 1.486 1.351 0 C-N-CA 122.834 0.454 . . . . 73.41 110.831 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.12 -35.21 18.94 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 123.657 2.905 . . . . 75.44 115.457 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -33.2 57.91 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 112.184 0.438 . . . . 75.14 112.184 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 95' ' ' MET . 46.4 mt-30 -64.87 -57.27 9.27 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 122.538 0.335 . . . . 74.31 110.875 174.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.9 tp -60.92 -18.02 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 123.044 0.538 . . . . 75.51 112.355 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.11 -36.84 34.77 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 123.559 0.743 . . . . 64.52 112.536 174.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m -92.81 -15.48 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 113.38 0.882 . . . . 53.35 113.38 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 91' ' ' GLN . 92.9 mtp -64.78 138.54 58.44 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 122.966 0.506 . . . . 75.51 112.059 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.5 p -79.16 167.6 20.78 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.621 0.368 . . . . 64.24 110.68 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 50.0 m -59.47 -29.76 68.04 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 122.844 0.458 . . . . 61.05 111.263 174.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.06 -51.58 67.41 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.352 1.061 . . . . 71.12 110.48 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -68.22 -36.76 80.02 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.096 0.959 . . . . 74.04 112.889 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.8 mtm -71.88 -31.42 66.41 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.242 0.617 . . . . 73.51 111.703 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.29 -31.15 30.16 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.977 0.511 . . . . 61.34 111.48 173.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.9 m -96.42 17.66 15.6 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.531 0.733 . . . . 75.4 111.602 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.52 ' HB3' ' ND2' ' A' ' 75' ' ' ASN . 3.7 t70 -50.0 -41.15 46.55 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.964 1.306 . . . . 75.45 112.706 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -69.35 -41.02 77.15 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.06 -0.518 . . . . 65.53 109.992 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.0 -15.36 62.56 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.575 0.954 . . . . 74.24 113.575 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -60.13 -41.28 92.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.79 0.436 . . . . 74.32 110.396 174.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -90.21 -47.91 7.49 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.784 0.834 . . . . 72.11 110.498 173.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.543 HG21 ' HB1' ' A' ' 111' ' ' ALA . 31.8 mm -89.81 67.91 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 122.274 1.035 . . . . 74.43 110.752 -173.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -105.42 -19.57 13.75 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 115.166 -0.924 . . . . 74.52 109.097 168.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -104.3 -67.2 0.91 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.41 1.084 . . . . 73.24 110.953 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.543 ' HB1' HG21 ' A' ' 108' ' ' ILE . . . 54.77 80.98 0.11 Allowed 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.85 1.26 . . . . 62.02 111.937 -174.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 24.1 ptp -149.01 8.34 0.74 Allowed 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 112.253 0.464 . . . . 74.32 112.253 -177.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 49.9 m . . . . . 0 CA--C 1.561 1.372 0 C-N-CA 123.319 0.648 . . . . 74.21 110.303 177.795 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 110.447 -0.205 . . . . 75.5 110.447 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -135.05 131.11 36.62 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.491 0.716 . . . . 75.41 110.501 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 82.0 mtp -74.28 136.28 75.62 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.147 0.579 . . . . 74.42 111.548 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -82.12 -165.95 0.36 Allowed 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.771 2.314 . . . . 73.13 111.87 169.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 62.3 t -54.49 115.76 9.3 Favored Pre-proline 0 CA--C 1.565 1.548 0 C-N-CA 123.527 0.731 . . . . 74.34 110.996 178.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 5' ' ' VAL . 4.3 Cg_exo -74.46 176.15 10.08 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.208 2.605 . . . . 60.44 114.181 -166.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.9 m -78.22 146.04 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.067 0 CA-C-N 114.953 -1.022 . . . . 73.35 111.896 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.7 p -96.93 110.55 23.04 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.634 0.774 . . . . 74.24 111.083 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.9 t -70.56 -52.1 23.94 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 109.166 -0.679 . . . . 62.44 109.166 169.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -125.76 -174.18 3.02 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.131 0.972 . . . . 71.2 109.813 171.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.1 -18.9 65.69 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 112.31 0.485 . . . . 75.34 112.31 175.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -49.33 -44.15 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 124.924 1.29 . . . . 75.1 113.465 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -54.86 13.18 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.749 0.42 . . . . 74.31 110.83 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.424 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 29.2 t-20 -61.98 -33.7 74.8 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 123.534 0.733 . . . . 75.31 111.954 -177.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' HG3' ' HE2' ' A' ' 19' ' ' MET . 52.0 tptt -60.28 -33.3 72.15 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.976 0.91 . . . . 75.44 111.306 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' A' ' 63' ' ' VAL . 62.8 m -62.7 -48.51 78.98 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.066 0.854 . . . . 75.44 111.354 175.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -54.88 -50.49 68.59 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.413 0.685 . . . . 74.31 110.471 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 17.1 mm-40 -61.89 -47.63 84.12 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 115.584 -0.735 . . . . 71.34 112.423 -175.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.563 ' SD ' HD12 ' A' ' 67' ' ' ILE . 23.2 ptp -72.33 -31.9 66.05 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.045 0.538 . . . . 73.1 112.222 -176.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 91.1 mt -68.48 -41.04 80.68 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.589 0.356 . . . . 75.21 110.665 173.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.2 m -59.67 -38.4 81.41 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.35 0.66 . . . . 64.21 111.236 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.23 97.93 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.343 0.657 . . . . 73.41 111.503 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HB3' HG22 ' A' ' 67' ' ' ILE . . . -66.7 -28.6 68.57 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.482 0.713 . . . . 71.41 111.997 174.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 20' ' ' LEU . 80.2 mt -83.92 -8.46 59.17 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.527 0.731 . . . . 72.41 112.731 177.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -118.43 17.29 13.8 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.733 0.813 . . . . 75.11 111.443 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 t -60.06 -49.38 77.9 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.581 0.956 . . . . 73.52 113.581 -172.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -130.38 28.98 4.91 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 122.908 0.483 . . . . 73.05 111.837 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.4 m80 58.61 26.99 15.13 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.771 0.828 . . . . 74.14 111.124 -174.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -57.1 -47.25 81.52 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.189 1.796 . . . . 64.51 112.514 -177.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -64.8 -33.37 75.82 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.445 0.698 . . . . 72.31 112.191 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.92 -39.94 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 C-N-CA 123.322 0.649 . . . . 75.22 110.871 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.97 70.93 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.106 0.962 . . . . 74.04 112.429 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.404 HD12 ' SG ' ' A' ' 84' ' ' CYS . 64.2 mt -95.34 -22.33 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 123.755 0.822 . . . . 71.11 111.462 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.75 14.87 62.41 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 122.708 0.194 . . . . 55.15 113.438 -175.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.05 139.29 34.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.98 0.912 . . . . 72.34 111.948 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.533 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . 6.0 m-20 -87.66 112.06 21.94 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.466 0.706 . . . . 72.31 110.721 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.2 p -72.52 -45.82 57.51 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.367 1.247 . . . . 74.01 114.367 -168.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -59.17 -35.77 74.13 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 123.767 0.827 . . . . 72.41 113.203 -168.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.533 ' HD3' ' HB2' ' A' ' 36' ' ' ASP . 4.8 ptm180 -74.74 -37.08 62.61 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.403 -0.817 . . . . 74.35 112.17 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 64.4 mt -63.25 -43.16 98.79 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 122.735 0.414 . . . . 74.52 111.571 -177.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.9 p -60.81 -38.95 87.13 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.07 0.948 . . . . 75.14 112.016 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.79 82.14 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.622 0.769 . . . . 51.44 112.084 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 73.3 mt-30 -68.05 -31.4 71.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.242 0.617 . . . . 71.3 111.456 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 40' ' ' LEU . 80.3 mt -67.02 -49.43 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 123.339 0.656 . . . . 73.11 110.161 171.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.0 -50.96 72.1 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.728 1.211 . . . . 73.0 112.943 -173.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.73 -34.74 74.87 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.945 0.72 . . . . 71.32 112.945 -177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.1 t -70.33 -46.71 63.65 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.461 0.704 . . . . 73.5 111.588 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 tt -82.14 -31.19 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.53 0 N-CA-C 113.157 0.799 . . . . 75.12 113.157 -172.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -65.31 -29.11 69.82 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 123.326 0.65 . . . . 73.21 112.536 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -59.46 -42.88 93.02 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 122.904 0.481 . . . . 74.41 111.785 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.78 -45.76 9.52 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.675 0.79 . . . . 74.33 112.064 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.734 HG12 ' HD2' ' A' ' 58' ' ' LYS . 17.5 t -95.66 -13.25 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 124.171 0.988 . . . . 64.21 112.902 -168.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.25 11.09 2.25 Favored Glycine 0 CA--C 1.54 1.608 0 N-CA-C 116.962 1.545 . . . . 72.12 116.962 -169.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -65.32 -21.28 66.69 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 117.697 0.748 . . . . 73.42 111.55 166.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.438 ' HA ' ' HB3' ' A' ' 59' ' ' TYR . 30.7 p 66.01 12.07 8.18 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 126.639 1.975 . . . . 71.42 114.832 171.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -74.08 78.89 1.73 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.021 0.528 . . . . 73.23 111.712 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tpt 70.67 -60.0 0.51 Allowed 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 126.008 1.723 . . . . 73.33 113.639 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.734 ' HD2' HG12 ' A' ' 52' ' ' VAL . 10.3 ttmm -50.32 -44.53 54.24 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.943 1.297 . . . . 74.03 113.405 -173.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.438 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 81.6 t80 -58.51 -48.83 79.53 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 112.802 0.667 . . . . 73.12 112.802 -175.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -64.15 -49.84 70.55 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 122.926 0.141 . . . . 75.13 110.929 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -60.2 -37.74 81.18 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.464 0.706 . . . . 73.32 111.975 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -64.39 -47.06 80.65 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.135 0.974 . . . . 73.53 111.391 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.462 HG22 ' SG ' ' A' ' 16' ' ' CYS . 96.7 t -63.87 -38.8 83.3 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 C-N-CA 122.612 0.365 . . . . 72.11 110.912 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -59.23 -42.88 92.11 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.433 0.693 . . . . 74.44 111.101 172.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.9 m -67.29 -36.51 81.7 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.334 0.654 . . . . 71.32 111.802 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.509 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 25.2 mmt180 -59.11 -53.39 58.87 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.514 0.726 . . . . 74.32 110.45 176.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.563 HD12 ' SD ' ' A' ' 19' ' ' MET . 71.4 mt -56.19 -42.31 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 C-N-CA 123.904 0.881 . . . . 64.11 111.762 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 39.1 t -55.3 -51.48 66.57 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.816 0.846 . . . . 70.42 112.153 -176.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.516 ' HB2' HD22 ' A' ' 75' ' ' ASN . 2.4 p-10 -71.54 -26.67 62.74 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 112.441 0.534 . . . . 74.24 112.441 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 66' ' ' ARG . 94.3 mt -63.12 -39.12 93.77 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 122.882 0.473 . . . . 73.32 111.845 177.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -103.24 3.59 35.73 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.5 0.72 . . . . 75.32 112.713 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 68' ' ' SER . 4.1 t70 -82.08 146.98 29.36 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.044 0.45 . . . . 74.41 111.873 -174.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -18.48 45.51 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.94 0.896 . . . . 74.31 112.924 -176.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -70.25 -35.63 73.93 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.333 0.653 . . . . 74.1 111.738 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.516 HD22 ' HB2' ' A' ' 69' ' ' ASN . 19.0 p-10 -137.63 68.77 52.61 Favored Pre-proline 0 CA--C 1.57 1.724 0 C-N-CA 123.456 0.702 . . . . 73.45 112.468 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.95 -22.41 8.75 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.541 2.161 . . . . 53.5 112.522 173.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -63.53 -31.33 72.46 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.205 1.402 . . . . 75.51 111.944 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 56.9 tp -54.79 -57.08 12.97 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 124.011 0.924 . . . . 75.24 112.574 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.426 ' HD2' HD21 ' A' ' 24' ' ' LEU . 9.5 tpp180 -74.11 -34.11 63.82 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.551 0.34 . . . . 74.22 111.464 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -53.92 -43.75 70.0 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.859 0.464 . . . . 75.1 111.127 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -67.0 -34.57 78.02 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 123.851 0.86 . . . . 74.41 112.18 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 87' ' ' ILE . 26.3 t -67.63 -47.57 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 CA-C-O 120.975 0.417 . . . . 62.01 110.975 177.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.11 -32.85 71.38 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.246 1.019 . . . . 52.14 112.32 175.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.404 ' SG ' HD12 ' A' ' 33' ' ' ILE . 98.0 m -80.12 -13.44 59.27 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.245 0.618 . . . . 73.54 112.312 176.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.53 3.87 74.18 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 119.7 -0.5 . . . . 72.34 114.195 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.16 74.86 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.467 0.707 . . . . 72.34 110.545 175.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 82' ' ' VAL . 66.7 mt -107.57 137.87 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 123.849 0.859 . . . . 74.43 109.003 173.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.4 p -86.88 152.52 53.84 Favored Pre-proline 0 N--CA 1.487 1.395 0 O-C-N 122.177 -0.327 . . . . 73.32 111.176 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -56.08 -22.74 40.84 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 122.832 2.354 . . . . 74.52 114.117 169.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -69.16 -45.39 70.14 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.291 0.636 . . . . 73.15 110.717 174.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -56.26 -56.62 18.72 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.633 0.773 . . . . 74.2 111.513 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.8 tp -63.35 -20.46 26.13 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 C-N-CA 123.525 0.73 . . . . 75.02 112.314 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.29 -33.68 59.09 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.399 0.68 . . . . 62.25 112.498 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.2 m -105.53 -15.5 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 113.343 0.868 . . . . 74.33 113.343 -175.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.492 ' HE3' ' HG2' ' A' ' 100' ' ' MET . 31.5 ttp -76.8 137.18 39.09 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.566 0.746 . . . . 71.02 112.676 -173.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 t -75.63 165.73 24.63 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.616 0.766 . . . . 74.22 111.738 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.3 p -64.74 -30.24 71.25 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 114.071 1.137 . . . . 74.12 114.071 -171.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.55 -48.94 73.17 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.759 0.79 . . . . 75.34 110.445 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -78.0 -23.04 48.46 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 114.821 -1.081 . . . . 74.21 112.106 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.492 ' HG2' ' HE3' ' A' ' 95' ' ' MET . 68.2 mtm -68.5 -41.03 80.62 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 110.042 -0.355 . . . . 74.13 110.042 169.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.53 70.97 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.988 0.515 . . . . 72.51 111.493 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.3 m 62.52 46.65 5.48 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.427 1.091 . . . . 75.4 111.855 173.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.29 -36.49 68.7 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.123 0.969 . . . . 74.22 113.285 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -59.75 -45.86 90.93 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.751 0.421 . . . . 74.51 110.845 173.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.52 -3.93 23.95 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.839 0.856 . . . . 74.04 113.21 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -84.19 -36.41 22.83 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.818 0.447 . . . . 74.44 110.347 170.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -75.99 -46.12 31.17 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.807 0.843 . . . . 71.33 110.921 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.4 mm -72.81 -22.98 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 C-N-CA 124.313 1.045 . . . . 72.24 111.328 176.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 66.31 179.09 0.21 Allowed 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 124.818 1.247 . . . . 74.32 109.965 -174.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.45 91.51 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.246 0 O-C-N 121.411 -0.805 . . . . 75.01 110.821 171.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -101.26 -166.54 1.32 Allowed 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 123.88 0.872 . . . . 63.23 110.855 178.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -140.02 148.18 41.46 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.892 0.877 . . . . 70.04 110.337 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.495 1.786 0 C-N-CA 125.211 1.404 . . . . 75.35 111.681 -178.595 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 111.955 0.354 . . . . 64.23 111.955 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -73.86 -22.96 59.57 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 113.251 0.834 . . . . 73.24 113.251 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.6 ptp -64.41 153.35 86.75 Favored Pre-proline 0 N--CA 1.484 1.263 0 C-N-CA 122.589 0.355 . . . . 64.33 111.129 174.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.85 142.39 33.16 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.794 2.33 . . . . 71.45 113.32 174.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.6 m -61.77 157.67 47.53 Favored Pre-proline 0 CA--C 1.562 1.435 0 C-N-CA 123.862 0.865 . . . . 71.13 111.935 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -58.14 159.21 19.28 Favored 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.061 1.841 . . . . 73.03 113.186 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.9 m -126.4 165.61 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.794 0.838 . . . . 74.14 112.192 -167.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -59.06 101.77 0.1 Allowed 'General case' 0 CA--C 1.556 1.175 0 CA-C-N 115.058 -0.974 . . . . 73.32 112.525 172.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.9 m -92.98 133.74 35.83 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.484 0.714 . . . . 75.52 109.884 172.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 64.85 175.33 0.2 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 124.333 1.053 . . . . 73.52 112.688 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.95 -16.77 62.68 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.942 0.497 . . . . 63.21 112.208 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.08 -60.56 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 123.513 0.725 . . . . 73.31 111.052 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -31.88 70.34 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.064 -0.516 . . . . 74.33 111.153 177.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -59.18 -33.05 70.48 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 120.729 0.3 . . . . 75.23 110.7 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' HG3' ' HE2' ' A' ' 19' ' ' MET . 17.3 tppt? -78.91 -35.91 42.74 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 123.208 0.603 . . . . 74.14 111.561 171.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.2 m -62.6 -53.93 47.19 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 123.621 0.768 . . . . 74.12 112.37 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 ptt85 -55.07 -40.83 70.76 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 112.267 0.469 . . . . 63.0 112.267 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.93 -34.86 69.4 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.876 1.065 . . . . 73.01 113.876 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.752 ' SD ' HD12 ' A' ' 67' ' ' ILE . 23.8 ptp -72.83 -29.46 63.25 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 120.76 0.314 . . . . 75.43 111.022 176.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.18 -41.14 67.34 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.374 0.67 . . . . 72.43 111.061 172.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.483 HG23 HE21 ' A' ' 25' ' ' GLN . 25.7 m -62.99 -38.18 90.13 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.546 0.738 . . . . 75.34 110.425 173.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -61.56 -39.44 91.14 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.086 0.954 . . . . 73.12 111.632 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.59 74.27 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.391 0.676 . . . . 72.3 112.61 174.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.92 -11.28 51.13 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 113.396 0.887 . . . . 74.43 113.396 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 9.9 pt20 -116.79 5.36 13.07 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 123.398 0.679 . . . . 73.14 111.788 178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -55.55 -39.34 70.47 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.089 0.955 . . . . 73.2 113.272 -170.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -124.01 20.48 9.11 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 123.686 0.794 . . . . 73.12 109.992 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.5 m80 63.26 38.51 10.33 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 124.837 1.255 . . . . 71.21 111.045 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.08 -47.48 79.92 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.778 1.231 . . . . 73.04 111.569 -173.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -62.51 -29.36 70.49 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.077 -0.965 . . . . 75.15 111.789 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.9 t -70.35 -42.59 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 123.152 0.581 . . . . 75.33 110.57 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.44 79.74 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.752 0.821 . . . . 71.55 112.091 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.9 mt -88.05 -25.56 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 123.791 0.837 . . . . 73.43 111.635 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.86 28.48 37.93 Favored Glycine 0 CA--C 1.536 1.389 0 CA-C-N 116.294 -0.412 . . . . 61.21 113.732 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.16 138.35 36.38 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.142 0.977 . . . . 75.13 111.416 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -80.09 98.39 7.25 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.643 0.377 . . . . 73.33 110.373 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -67.35 -23.29 65.59 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.107 1.151 . . . . 74.31 114.107 -173.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -70.64 -41.9 71.56 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.275 0.63 . . . . 74.01 111.751 -173.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -73.41 -34.04 65.28 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.116 0.566 . . . . 74.4 111.443 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.61 -48.89 70.72 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.876 0.47 . . . . 75.11 111.276 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.5 p -58.89 -37.31 76.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.322 1.049 . . . . 72.53 112.089 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.49 -31.96 72.78 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.081 0.953 . . . . 64.45 112.161 173.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -78.1 -30.29 49.45 Favored 'General case' 0 CA--C 1.563 1.442 0 C-N-CA 123.285 0.634 . . . . 74.14 112.241 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 89' ' ' PRO . 3.6 mp -65.52 -43.46 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 N-CA-C 108.952 -0.759 . . . . 64.35 108.952 166.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -59.77 -51.54 69.33 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.244 -0.889 . . . . 75.52 112.127 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -64.36 -32.63 74.32 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.673 0.389 . . . . 74.34 111.828 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.12 -49.16 65.86 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.349 0.66 . . . . 74.11 111.827 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.6 tt -72.14 -24.02 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.537 0 C-N-CA 122.769 0.427 . . . . 74.23 111.017 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.84 -37.55 67.39 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.681 0.792 . . . . 73.45 111.682 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -64.95 -42.29 94.75 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.25 0.62 . . . . 74.33 112.573 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -91.65 -54.06 4.04 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.589 0.709 . . . . 71.31 112.318 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -103.69 -9.41 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 C-N-CA 124.217 1.007 . . . . 74.44 112.988 -166.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.94 14.15 0.14 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 117.809 1.884 . . . . 52.22 117.809 -171.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -64.81 -12.2 45.35 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.792 0.837 . . . . 64.43 112.365 163.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p 61.99 34.86 16.42 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 125.729 1.611 . . . . 71.53 113.294 173.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.87 -169.0 2.36 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-N 115.806 -0.634 . . . . 73.1 110.781 178.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -56.85 -44.48 82.18 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.195 0.998 . . . . 74.33 112.828 -171.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -64.24 -35.9 82.33 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.24 0.616 . . . . 74.44 112.198 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -62.31 -48.37 80.14 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.519 0.728 . . . . 63.21 110.828 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.9 mmtp -55.12 -47.46 74.99 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.288 0.992 . . . . 73.13 111.404 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -61.53 -47.78 84.04 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.542 0.737 . . . . 72.31 111.585 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -60.86 -37.12 81.02 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.722 0.809 . . . . 74.12 112.189 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 67' ' ' ILE . 97.4 t -69.08 -46.57 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 122.988 0.515 . . . . 60.1 111.038 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 39.7 mtm180 -61.26 -40.55 94.5 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 122.587 0.355 . . . . 71.25 111.626 179.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.3 t -67.85 -36.1 79.73 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.486 0.715 . . . . 73.4 111.161 175.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.497 ' HE ' ' HG ' ' A' ' 70' ' ' LEU . 6.6 tpm_? -65.61 -43.42 89.65 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.797 0.439 . . . . 75.11 110.976 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.752 HD12 ' SD ' ' A' ' 19' ' ' MET . 53.8 mt -58.13 -57.42 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 123.418 0.687 . . . . 74.54 110.627 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.2 p -58.37 -42.74 87.66 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.136 0.974 . . . . 74.23 112.208 -174.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.449 ' O ' HD21 ' A' ' 78' ' ' LEU . 15.1 m120 -75.2 -26.99 59.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.134 0.573 . . . . 74.03 112.509 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.497 ' HG ' ' HE ' ' A' ' 66' ' ' ARG . 55.7 mt -66.39 -62.7 1.33 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.745 -0.465 . . . . 73.22 109.745 170.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 18.7 ptpt -75.91 15.86 0.48 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 113.357 0.873 . . . . 72.5 113.357 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.69 135.99 56.47 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.263 1.025 . . . . 64.31 112.44 -175.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.85 -29.91 32.32 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.39 -0.823 . . . . 64.02 111.945 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -74.88 -27.18 60.14 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 122.947 0.499 . . . . 74.33 111.49 -175.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -136.3 85.1 27.61 Favored Pre-proline 0 CA--C 1.564 1.481 0 C-N-CA 123.778 0.831 . . . . 73.43 109.118 172.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -71.39 -25.82 21.16 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.708 2.272 . . . . 72.54 111.569 173.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.468 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 16.0 m-20 -66.88 -20.43 65.92 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.16 0.984 . . . . 73.23 112.436 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.449 HD21 ' O ' ' A' ' 69' ' ' ASN . 41.5 tp -63.35 -56.33 17.24 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.021 0.528 . . . . 75.32 111.959 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -71.57 -32.91 68.6 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.368 0.267 . . . . 74.34 110.615 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.468 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 78.4 ttt180 -56.67 -38.68 72.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.596 1.158 . . . . 73.14 111.744 176.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.651 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 92.8 m-20 -73.82 -31.39 63.21 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.677 0.791 . . . . 73.24 112.278 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.5 t -71.3 -39.16 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.314 0.578 . . . . 74.15 110.52 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.41 -33.44 60.96 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.234 1.013 . . . . 73.22 111.936 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.651 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 20.0 p -81.93 -17.25 47.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 122.014 -0.429 . . . . 64.23 111.204 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.39 14.57 55.5 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 114.574 0.589 . . . . 51.25 114.574 177.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.27 -55.15 13.16 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 117.713 0.757 . . . . 74.3 110.72 173.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.2 mp -97.28 131.01 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 N-CA-C 108.61 -0.885 . . . . 74.43 108.61 169.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.1 p -80.16 148.0 66.4 Favored Pre-proline 0 N--CA 1.484 1.234 0 C-N-CA 122.559 0.343 . . . . 71.43 111.02 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.488 ' HB3' HD12 ' A' ' 44' ' ' ILE . 90.5 Cg_exo -49.33 -36.05 36.86 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 123.705 2.937 . . . . 74.24 115.812 176.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -37.07 82.17 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.459 0.304 . . . . 74.44 111.568 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 95' ' ' MET . 29.5 mt-30 -67.21 -56.45 9.84 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.967 0.507 . . . . 72.43 111.252 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.37 -27.5 33.2 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.571 0 C-N-CA 123.009 0.524 . . . . 74.22 112.147 -176.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.25 -36.32 74.39 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 123.48 0.712 . . . . 62.22 112.446 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.1 m -95.77 -4.88 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 112.669 0.618 . . . . 74.24 112.669 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 91' ' ' GLN . 94.5 mtp -75.42 127.5 33.25 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 122.79 0.436 . . . . 73.12 111.94 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.472 ' HB ' ' HG2' ' A' ' 99' ' ' GLU . 89.1 m -68.04 159.48 30.73 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.596 1.159 . . . . 73.51 110.568 173.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.6 p -52.67 -40.1 62.54 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.904 0.882 . . . . 75.14 111.654 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.455 ' H ' HG21 ' A' ' 96' ' ' THR . 24.3 tt0 -63.9 -40.44 96.51 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.233 0.613 . . . . 73.52 111.989 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.472 ' HG2' ' HB ' ' A' ' 96' ' ' THR . 15.9 mm-40 -59.42 -39.68 84.28 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.461 0.648 . . . . 63.43 111.06 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.42 ' SD ' HD23 ' A' ' 78' ' ' LEU . 76.4 mtm -82.08 -24.94 34.94 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 124.413 1.085 . . . . 73.1 112.806 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.83 11.9 27.73 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.168 0.987 . . . . 55.13 111.404 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.7 t -54.46 120.12 6.18 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.266 1.026 . . . . 72.21 112.731 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -62.78 -22.15 66.38 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.908 0.883 . . . . 71.43 112.311 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -76.28 -51.97 10.94 Favored 'General case' 0 CA--C 1.564 1.486 0 C-N-CA 123.29 0.636 . . . . 73.44 109.316 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.5 mt -71.19 -31.41 67.6 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 114.771 1.397 . . . . 74.32 114.771 -173.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.38 -24.46 66.49 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 113.284 0.846 . . . . 73.32 113.284 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -101.35 -13.25 18.09 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.27 0.628 . . . . 75.11 111.795 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 40.4 mm -76.78 -63.5 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 N-CA-C 109.286 -0.635 . . . . 65.1 109.286 167.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? 58.65 41.01 22.79 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 124.144 0.978 . . . . 73.45 109.884 168.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.527 ' HB3' ' HZ3' ' A' ' 110' ' ' LYS . 5.6 ttpm? 63.47 77.74 0.31 Allowed 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 125.15 1.38 . . . . 70.42 110.84 -167.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.9 36.4 0.76 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.629 0.771 . . . . 63.11 112.417 -176.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.2 tpt -92.61 10.12 31.83 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 123.989 0.916 . . . . 64.24 109.826 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 CA--C 1.565 1.541 0 C-N-CA 124.278 1.031 . . . . 73.2 112.238 -176.375 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 110.948 -0.019 . . . . 73.32 110.948 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -139.49 55.41 1.68 Allowed 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.921 0.867 . . . . 73.42 109.498 177.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.41 ' HE3' HH22 ' A' ' 50' ' ' ARG . 1.7 mpt? -79.33 137.0 56.16 Favored Pre-proline 0 CA--C 1.554 1.099 0 CA-C-N 115.362 -0.835 . . . . 74.32 109.653 173.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -59.27 116.03 2.99 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.386 2.057 . . . . 70.33 111.679 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 m -59.71 139.07 89.93 Favored Pre-proline 0 CA--C 1.564 1.504 0 C-N-CA 123.037 0.535 . . . . 74.24 111.47 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.9 162.75 33.69 Favored 'Trans proline' 0 C--N 1.369 1.606 0 C-N-CA 123.387 2.724 . . . . 74.44 115.114 -167.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.11 150.96 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-N 114.817 -1.083 . . . . 64.22 111.264 173.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.8 p -71.58 119.04 15.17 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.949 0.5 . . . . 73.12 111.174 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.0 m -75.88 163.07 27.58 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.551 0.34 . . . . 72.43 110.507 172.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.62 87.51 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.881 0.872 . . . . 73.21 112.203 -172.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 73.84 -47.37 0.65 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 126.544 1.938 . . . . 72.41 114.327 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.3 t -58.31 -62.66 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 113.631 0.974 . . . . 72.22 113.631 -171.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -70.43 -30.42 67.27 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.322 0.249 . . . . 73.44 111.666 -172.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.9 -44.98 79.4 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.786 0.435 . . . . 63.3 110.267 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -61.31 -47.32 86.47 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.183 0.593 . . . . 74.33 111.25 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.9 m -59.43 -39.94 85.16 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.69 0.796 . . . . 52.41 111.763 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -63.09 -47.85 81.12 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.927 0.891 . . . . 73.53 110.156 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.26 -45.73 79.97 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.994 0.918 . . . . 73.11 111.486 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.1 mtm -74.27 -27.56 60.8 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.777 0.831 . . . . 75.43 113.233 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.0 -45.44 85.59 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 118.031 0.378 . . . . 72.44 110.573 172.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -68.0 -34.37 76.38 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 115.742 -0.663 . . . . 71.33 110.879 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.05 -31.67 69.41 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.799 0.84 . . . . 72.5 111.791 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.548 ' HB3' HG22 ' A' ' 67' ' ' ILE . . . -66.29 -26.0 67.12 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.786 0.834 . . . . 65.24 111.082 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.5 mt -78.83 -36.05 43.09 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.601 0.761 . . . . 74.01 111.008 171.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -88.44 16.87 5.84 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.236 1.014 . . . . 74.43 112.447 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 t -63.75 -32.58 74.12 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.514 0.726 . . . . 74.23 111.478 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -154.01 169.79 22.65 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.092 0.957 . . . . 74.54 108.834 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -85.43 30.07 0.64 Allowed 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.872 0.693 . . . . 75.22 112.872 -174.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.04 -49.61 76.69 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.785 0.834 . . . . 72.52 111.882 173.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -66.28 -29.16 69.32 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.376 0.27 . . . . 74.04 111.515 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.1 t -73.99 -38.06 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 123.719 0.808 . . . . 73.53 110.842 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.5 -36.26 83.32 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.015 0.926 . . . . 73.24 111.532 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.442 HG21 ' HA ' ' A' ' 84' ' ' CYS . 78.1 mt -80.85 -25.73 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.485 0 C-N-CA 123.799 0.84 . . . . 75.34 110.836 174.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.12 -1.25 60.74 Favored Glycine 0 N--CA 1.483 1.767 0 N-CA-C 114.25 0.46 . . . . 73.11 114.25 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.28 111.16 20.18 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.356 0.662 . . . . 72.54 111.073 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -70.4 139.18 51.82 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-O 121.593 0.711 . . . . 71.05 110.33 175.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.2 p -73.23 -25.22 60.64 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 115.735 1.754 . . . . 75.54 115.735 -160.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.54 -48.26 78.24 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 113.799 1.037 . . . . 71.41 113.799 -167.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -29.54 67.21 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 118.557 0.617 . . . . 74.3 111.219 179.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.36 -35.8 81.6 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.33 0.652 . . . . 74.45 110.782 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.9 t -77.17 -34.37 56.35 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.841 0.856 . . . . 64.24 112.316 172.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.89 74.17 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 114.317 1.229 . . . . 63.12 114.317 -171.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -63.19 -33.1 74.75 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 120.934 0.397 . . . . 71.52 111.376 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.8 mt -74.46 -33.73 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.265 0.626 . . . . 72.24 111.652 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.01 -46.29 68.31 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.164 0.986 . . . . 71.51 111.96 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -78.28 -35.75 47.57 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 116.18 -0.463 . . . . 71.23 112.106 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.39 -49.01 78.63 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 123.16 0.584 . . . . 63.15 112.081 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -70.72 -26.18 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.307 0 C-N-CA 123.78 0.832 . . . . 72.51 110.781 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.693 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 88.7 t80 -63.58 -39.57 94.74 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.143 0.577 . . . . 74.54 112.534 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.41 HH22 ' HE3' ' A' ' 3' ' ' MET . 91.0 mtt180 -52.68 -46.41 67.24 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.043 0.937 . . . . 75.34 112.383 -173.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.42 -56.54 3.17 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.936 0.717 . . . . 75.53 112.936 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.515 HG13 ' HD2' ' A' ' 58' ' ' LYS . 29.1 m -113.01 -13.37 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 114.599 1.333 . . . . 74.51 114.599 -168.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.693 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -63.49 -5.64 12.78 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 115.107 0.803 . . . . 71.41 115.107 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -61.12 -5.8 1.67 Allowed 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 124.856 1.262 . . . . 71.45 113.205 166.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.4 p 67.4 46.9 1.34 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.935 2.094 . . . . 75.24 111.934 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -77.45 171.75 14.4 Favored 'General case' 0 CA--C 1.56 1.363 0 CA-C-N 113.913 -1.494 . . . . 74.04 110.998 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -61.01 -33.73 73.72 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.17 0.588 . . . . 74.34 111.125 173.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HD2' HG13 ' A' ' 52' ' ' VAL . 18.8 ttmm -59.76 -42.4 93.17 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.729 0.812 . . . . 74.44 111.105 172.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -64.8 -43.3 93.61 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.745 0.818 . . . . 75.03 111.408 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.4 mmtp -54.84 -53.59 53.38 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.3 0.64 . . . . 75.33 111.068 178.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.32 -37.15 84.72 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.267 -0.879 . . . . 70.43 112.225 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.46 HH22 ' HE1' ' A' ' 100' ' ' MET . 10.5 tpt180 -70.89 -32.94 70.06 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.894 0.477 . . . . 74.43 111.766 -176.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.9 t -70.37 -43.61 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.864 0.866 . . . . 75.42 111.229 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 66.3 mtm180 -59.44 -42.13 91.21 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.276 0.56 . . . . 73.1 110.604 175.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.1 t -63.39 -51.31 66.37 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 115.073 -0.967 . . . . 74.43 111.786 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.509 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -65.06 -56.89 10.42 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.158 0.583 . . . . 74.45 111.565 -168.745 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.548 HG22 ' HB3' ' A' ' 23' ' ' ALA . 80.6 mt -56.24 -42.53 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 124.01 0.924 . . . . 71.53 111.514 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.9 t -61.84 -40.81 96.6 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.739 0.815 . . . . 64.32 111.945 176.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.543 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 17.4 m120 -75.83 -24.24 55.82 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.776 0.831 . . . . 72.3 112.92 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.612 HD21 ' HD3' ' A' ' 79' ' ' ARG . 87.0 mt -71.52 -31.41 67.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.163 0.585 . . . . 73.33 111.185 176.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -112.05 15.21 20.71 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.022 0.929 . . . . 73.41 111.885 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.543 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 8.6 t70 -65.15 137.34 57.57 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.536 0.734 . . . . 71.24 112.504 -170.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.09 -27.82 60.05 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.437 0.695 . . . . 73.02 112.453 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -84.97 -41.29 16.0 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.243 0.617 . . . . 74.04 110.364 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -132.84 77.82 67.69 Favored Pre-proline 0 CA--C 1.563 1.467 0 C-N-CA 123.088 0.555 . . . . 75.44 111.044 178.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -80.69 -20.24 8.05 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.651 2.234 . . . . 74.21 112.132 170.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.28 -25.3 67.01 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.806 1.243 . . . . 72.12 112.301 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 55.8 tp -53.46 -58.37 7.38 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.871 0.868 . . . . 64.23 111.661 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.612 ' HD3' HD21 ' A' ' 70' ' ' LEU . 5.7 tpt180 -79.43 -31.0 42.51 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.817 0.673 . . . . 73.43 112.817 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -60.39 -31.84 70.75 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.079 0.551 . . . . 75.34 112.066 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.443 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 90.0 m-20 -69.61 -30.62 68.4 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.139 0.576 . . . . 74.42 111.873 172.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.511 HG23 ' HB ' ' A' ' 87' ' ' ILE . 16.5 t -72.66 -35.87 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 122.577 0.351 . . . . 62.11 110.489 174.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.32 -36.12 82.1 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.782 0.833 . . . . 74.12 111.771 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 31.4 p -82.56 -16.32 48.99 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 122.765 0.426 . . . . 73.05 111.737 175.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.28 10.72 55.64 Favored Glycine 0 N--CA 1.476 1.336 0 N-CA-C 114.644 0.618 . . . . 72.51 114.644 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.91 -54.74 16.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.576 0.75 . . . . 64.34 111.477 174.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.511 ' HB ' HG23 ' A' ' 82' ' ' VAL . 65.2 mt -89.47 137.8 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.164 0.585 . . . . 72.44 109.79 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 p -76.87 152.59 82.74 Favored Pre-proline 0 N--CA 1.486 1.349 0 C-N-CA 122.967 0.507 . . . . 74.22 111.567 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -50.99 -32.48 38.61 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 123.25 2.633 . . . . 72.15 113.936 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -68.81 -48.0 64.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.716 0.406 . . . . 74.3 112.068 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.403 ' HA ' HG23 ' A' ' 94' ' ' VAL . 14.8 mm100 -65.16 -47.09 78.23 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.051 0.389 . . . . 72.23 112.051 -173.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -65.35 -21.42 29.26 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.751 0 C-N-CA 122.555 0.342 . . . . 72.13 111.821 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.55 -33.55 28.1 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.627 0.771 . . . . 75.21 112.936 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.403 HG23 ' HA ' ' A' ' 91' ' ' GLN . 35.0 m -92.3 -31.69 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 113.593 0.96 . . . . 71.33 113.593 -174.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 67.4 mtm -61.81 128.26 35.35 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.962 0.727 . . . . 74.31 112.962 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.3 p -71.18 171.99 10.04 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.015 0.526 . . . . 71.42 111.192 173.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.0 m -56.03 -38.67 70.87 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 122.946 0.499 . . . . 71.23 111.937 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -62.0 -35.19 77.79 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.302 1.041 . . . . 74.14 111.314 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -77.75 -37.9 48.13 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.734 0.813 . . . . 63.23 111.158 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.46 ' HE1' HH22 ' A' ' 62' ' ' ARG . 39.2 mtm -75.34 -1.32 23.19 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.841 0.856 . . . . 75.13 112.606 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.84 -14.57 62.0 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.939 0.896 . . . . 62.42 112.361 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.6 m 63.72 68.79 0.57 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.376 1.07 . . . . 64.34 110.625 -177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.33 -32.3 73.62 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.575 1.15 . . . . 64.32 111.833 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.66 -37.57 82.56 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.612 0.765 . . . . 74.2 111.976 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.7 mt -74.57 -4.56 37.75 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 112.819 0.674 . . . . 74.23 112.819 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.551 ' HE2' ' HA ' ' A' ' 106' ' ' LYS . 11.1 mmpt? -67.1 -41.46 86.25 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.612 0.765 . . . . 70.3 111.31 170.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -92.74 -21.24 20.07 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.712 -0.676 . . . . 74.41 111.726 -179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.2 mm -77.07 87.14 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.359 0 CA-C-O 121.84 0.829 . . . . 75.22 109.495 173.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -119.93 164.89 15.39 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.558 1.143 . . . . 74.12 109.946 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.52 18.85 6.05 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 124.407 1.083 . . . . 73.33 112.162 -173.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.8 3.82 54.56 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.297 1.039 . . . . 73.53 112.509 -176.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 53.5 tpp -70.98 91.79 0.89 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.973 0.509 . . . . 74.22 109.881 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 m . . . . . 0 CA--C 1.571 1.777 0 C-N-CA 125.066 1.346 . . . . 74.52 111.628 -178.257 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 119.692 -0.194 . . . . 70.23 110.546 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 62.33 79.44 0.26 Allowed 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.828 1.251 . . . . 75.31 111.531 -175.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.8 mtt -92.76 143.71 27.45 Favored Pre-proline 0 N--CA 1.483 1.204 0 C-N-CA 123.36 0.664 . . . . 73.54 110.377 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.88 157.54 37.87 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.491 2.128 . . . . 70.52 113.092 176.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.47 150.58 84.81 Favored Pre-proline 0 CA--C 1.559 1.305 0 C-N-CA 123.033 0.533 . . . . 54.21 110.499 174.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.94 141.96 50.17 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.774 2.316 . . . . 61.51 113.097 -173.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.1 m -70.0 126.99 31.25 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 CA-C-N 115.762 -0.653 . . . . 73.11 110.357 174.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.1 p -70.26 99.3 1.51 Allowed 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.495 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.9 t -54.13 -43.63 70.68 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.207 1.003 . . . . 73.32 112.897 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -147.41 173.07 12.98 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.063 -0.971 . . . . 72.33 110.164 -169.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.04 -34.39 56.24 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.189 0.995 . . . . 73.3 112.81 174.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.423 HG12 ' HG ' ' A' ' 16' ' ' CYS . 38.3 t -58.46 -50.82 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.388 0.675 . . . . 63.14 111.411 177.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -55.98 -47.28 77.98 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.617 1.167 . . . . 74.44 112.231 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -67.14 -44.35 80.04 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.386 -0.824 . . . . 75.23 111.22 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -63.66 -39.43 94.32 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.661 0.784 . . . . 73.31 111.556 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.423 ' HG ' HG12 ' A' ' 12' ' ' VAL . 92.4 m -64.43 -44.08 92.29 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.951 0.901 . . . . 65.31 111.37 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.47 ' HE ' ' HB1' ' A' ' 42' ' ' ALA . 49.0 ttt180 -60.28 -42.31 95.15 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.144 0.577 . . . . 74.22 111.283 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -56.95 -52.16 66.3 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 112.868 0.692 . . . . 74.11 112.868 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -72.65 -28.05 62.5 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 112.672 0.619 . . . . 72.25 112.672 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.17 -41.31 99.22 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 122.803 0.441 . . . . 62.41 111.022 167.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -66.27 -40.59 90.21 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.562 0.745 . . . . 71.4 110.624 176.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.28 -32.02 73.44 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.97 0.908 . . . . 64.12 112.155 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.43 -30.63 71.73 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.323 0.649 . . . . 74.34 111.674 173.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.647 ' HB3' HD21 ' A' ' 83' ' ' LEU . 84.5 mt -86.97 -29.22 22.2 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.919 0.887 . . . . 74.45 112.415 176.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -86.85 -19.4 29.0 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 113.567 0.951 . . . . 74.42 113.567 -177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -52.47 -47.53 66.45 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 114.185 1.18 . . . . 74.5 114.185 -171.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -97.43 2.3 50.22 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.307 0.643 . . . . 75.03 112.119 176.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 m80 62.03 19.98 11.23 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.914 1.286 . . . . 74.15 113.781 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -57.87 -26.23 61.83 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 113.254 0.835 . . . . 75.22 113.254 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -62.73 -23.36 67.14 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.592 0.757 . . . . 73.44 112.757 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.53 -44.61 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.22 0.608 . . . . 75.43 111.685 -176.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.15 -30.17 68.34 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.307 0.643 . . . . 73.04 111.902 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -88.04 -31.35 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 C-N-CA 123.688 0.795 . . . . 75.51 112.043 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.42 55.64 6.69 Favored Glycine 0 N--CA 1.473 1.137 0 CA-C-N 116.109 -0.496 . . . . 75.11 112.433 -171.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -118.92 127.41 53.46 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.022 0.929 . . . . 74.11 110.872 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.48 ' HB2' ' HG2' ' A' ' 39' ' ' ARG . 7.8 m-20 -78.79 97.97 6.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.421 0.288 . . . . 64.02 110.567 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.1 m -57.65 -26.21 61.3 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.665 0.786 . . . . 60.42 112.966 -177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.16 -38.7 66.12 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.103 0.561 . . . . 73.31 112.513 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 17.0 ptp180 -76.6 -31.46 57.47 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-N 118.494 0.588 . . . . 73.32 110.468 177.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.48 -49.14 70.2 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.886 0.474 . . . . 73.21 110.38 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.9 p -64.72 -29.66 70.65 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.634 0.774 . . . . 75.22 112.028 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.47 ' HB1' ' HE ' ' A' ' 17' ' ' ARG . . . -70.48 -39.78 73.99 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.559 0.743 . . . . 74.34 111.792 175.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -70.97 -29.8 65.89 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.626 0.37 . . . . 74.25 111.041 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.1 mt -64.07 -44.59 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.589 0.755 . . . . 75.43 110.095 166.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -41.1 98.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.408 1.083 . . . . 73.22 111.167 -172.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -39.56 92.4 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 118.055 0.389 . . . . 72.31 111.587 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.1 m -67.76 -48.97 64.89 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.94 0.496 . . . . 71.4 111.619 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.05 -25.52 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.398 0 C-N-CA 122.811 0.444 . . . . 73.52 111.039 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -73.24 -37.03 66.49 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 122.941 0.496 . . . . 73.42 111.924 175.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -69.92 -36.67 75.54 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.944 0.498 . . . . 75.42 111.791 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.97 -54.19 4.24 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-O 121.67 0.747 . . . . 75.34 111.83 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.641 HG22 ' HG2' ' A' ' 62' ' ' ARG . 6.3 t -110.63 -8.45 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 C-N-CA 124.4 1.08 . . . . 71.54 112.192 -169.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.11 19.67 0.12 Allowed Glycine 0 N--CA 1.478 1.445 0 N-CA-C 118.688 2.235 . . . . 54.33 118.688 -166.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.429 HD22 ' HD3' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -65.98 90.81 0.14 Allowed 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 118.682 1.241 . . . . 64.43 108.435 157.53 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.41 ' O ' ' HE3' ' A' ' 60' ' ' LYS . 8.2 t -55.57 -23.43 26.98 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.121 0.969 . . . . 75.52 113.571 -167.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.95 115.67 5.61 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.226 0.61 . . . . 74.41 110.98 169.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.2 ttt 67.17 -77.1 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 125.006 1.322 . . . . 73.12 114.276 169.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' HD3' HD22 ' A' ' 54' ' ' ASN . 61.2 tttp -58.16 -48.91 78.82 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.536 1.134 . . . . 71.34 113.266 -167.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 63' ' ' VAL . 59.1 t80 -59.75 -46.27 89.67 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.482 0.713 . . . . 75.41 112.465 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' ' 55' ' ' THR . 95.5 mttt -55.8 -46.23 78.06 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.899 0.88 . . . . 74.42 112.145 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -72.41 -33.3 67.05 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.363 0.665 . . . . 61.43 111.499 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.641 ' HG2' HG22 ' A' ' 52' ' ' VAL . 27.5 tpt180 -75.54 -26.82 58.34 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.095 0.558 . . . . 74.25 112.171 -177.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 59' ' ' TYR . 95.3 t -60.91 -40.65 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 109.689 -0.486 . . . . 75.0 109.689 170.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -65.49 -31.09 71.98 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.846 0.458 . . . . 75.13 111.482 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.1 m -60.47 -34.36 73.91 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 122.762 0.425 . . . . 72.4 111.205 174.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -73.92 -54.6 7.58 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.232 0.613 . . . . 74.42 110.751 175.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.1 mt -55.2 -57.86 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.505 1.122 . . . . 72.22 112.29 -176.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.2 t -56.02 -41.47 75.0 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.436 1.094 . . . . 72.34 112.211 -175.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -75.95 -30.01 58.51 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.521 0.728 . . . . 54.44 112.823 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.89 -46.13 72.5 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 120.8 0.333 . . . . 74.33 110.227 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -86.5 4.32 40.36 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.489 1.115 . . . . 75.52 112.139 -177.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -73.31 152.32 40.98 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.647 0.779 . . . . 74.21 112.866 -169.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.1 -21.58 39.8 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.951 0.9 . . . . 65.45 113.027 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -68.39 -37.29 80.24 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 123.01 0.524 . . . . 74.32 110.664 176.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -133.1 86.1 43.37 Favored Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 123.551 0.74 . . . . 74.35 109.316 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.22 -34.07 37.46 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.755 2.303 . . . . 65.1 111.859 176.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.98 -15.32 62.06 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.963 -1.017 . . . . 73.02 113.244 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.8 tp -56.77 -49.27 75.81 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 112.752 0.649 . . . . 73.21 112.752 -175.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -67.15 -36.83 82.68 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.839 0.456 . . . . 75.33 111.403 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -65.31 -39.89 93.07 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.946 1.298 . . . . 73.33 112.347 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.597 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 0.4 OUTLIER -76.83 -25.78 53.58 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.294 0.637 . . . . 73.33 112.23 -176.341 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.3 -39.22 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-O 121.071 0.462 . . . . 75.12 110.01 172.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.647 HD21 ' HB3' ' A' ' 24' ' ' LEU . 84.6 mt -66.08 -38.37 88.11 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.665 0.786 . . . . 73.04 112.221 176.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 17.4 p -81.63 -12.52 58.68 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 122.652 0.381 . . . . 72.5 111.752 176.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.26 17.27 69.57 Favored Glycine 0 C--N 1.352 1.451 0 N-CA-C 114.512 0.565 . . . . 72.15 114.512 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.17 -54.54 24.08 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.103 0.561 . . . . 71.24 110.394 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.5 mp -100.7 120.72 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 107.318 -1.364 . . . . 72.42 107.318 167.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.3 p -71.97 152.78 92.95 Favored Pre-proline 0 N--CA 1.482 1.166 0 C-N-CA 122.342 0.257 . . . . 54.41 111.159 -175.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -52.12 -29.82 38.48 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 123.253 2.635 . . . . 75.44 114.203 173.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -47.93 69.82 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.408 0.683 . . . . 72.32 110.016 175.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -64.09 -54.96 25.81 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.306 0.642 . . . . 72.41 111.77 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.62 -23.5 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 123.422 0.689 . . . . 74.04 112.493 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.21 -23.78 51.37 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.236 0.828 . . . . 63.42 113.236 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.1 m -110.95 -14.12 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 112.691 0.626 . . . . 70.41 112.691 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 80.9 mtp -58.73 139.98 55.44 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 123.698 0.799 . . . . 73.41 112.064 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.4 p -73.14 169.46 16.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.936 -0.478 . . . . 62.24 111.241 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.2 p -59.81 -35.5 74.83 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.803 0.441 . . . . 73.34 111.506 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.34 -39.55 81.85 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.402 0.681 . . . . 72.12 112.124 175.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.29 -41.41 96.89 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.6 0.76 . . . . 73.33 111.777 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 78.7 mtm -73.75 -16.73 61.17 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.603 0.761 . . . . 73.51 112.555 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.48 9.8 15.55 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.8 0.84 . . . . 74.53 111.664 175.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.1 t -67.4 114.82 6.39 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.739 1.014 . . . . 72.11 113.739 -171.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.1 -17.94 63.23 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 123.926 0.89 . . . . 74.34 110.745 168.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.93 -23.66 64.19 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.804 0.841 . . . . 74.44 111.565 176.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 76.5 mt -82.39 -21.13 35.97 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 112.722 0.638 . . . . 73.44 112.722 174.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -64.95 -35.71 82.04 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.685 0.794 . . . . 75.41 111.936 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.42 -25.61 54.64 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.794 0.838 . . . . 74.21 111.63 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 52.2 mm -76.25 120.28 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.609 0.764 . . . . 75.21 110.576 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -85.86 -75.48 0.37 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 122.768 0.427 . . . . 73.32 111.048 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -127.82 10.53 6.54 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.415 0.686 . . . . 74.22 111.872 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.04 90.79 1.19 Allowed 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.936 0.495 . . . . 72.54 111.152 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -132.89 -62.17 0.82 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.551 0.74 . . . . 73.53 110.173 -174.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.493 1.683 0 C-N-CA 123.992 0.917 . . . . 64.13 111.374 -177.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 120.556 0.217 . . . . 62.44 110.674 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -106.93 18.24 22.07 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.069 0.548 . . . . 73.41 110.952 169.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.41 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 24.8 ptp -142.99 175.05 3.1 Favored Pre-proline 0 CA--C 1.563 1.451 0 C-N-CA 124.244 1.018 . . . . 74.4 110.108 -172.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 33.9 Cg_endo -62.54 159.96 34.15 Favored 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 121.908 1.739 . . . . 71.52 112.352 169.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.469 HG12 ' HB2' ' A' ' 42' ' ' ALA . 97.4 t -57.12 116.77 14.55 Favored Pre-proline 0 CA--C 1.561 1.4 0 C-N-CA 123.126 0.57 . . . . 72.42 110.281 176.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.61 141.7 52.09 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 124.113 3.209 . . . . 74.34 114.727 -170.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.7 m -64.3 130.11 28.93 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 C-N-CA 124.473 1.109 . . . . 75.41 112.839 -174.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -86.22 122.41 30.18 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 109.225 -0.657 . . . . 71.42 109.225 169.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.6 m -60.77 -53.29 59.2 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.411 0.685 . . . . 71.34 111.644 -174.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.478 ' HB2' HG22 ' A' ' 12' ' ' VAL . 7.3 m-20 -121.44 -151.54 0.48 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.644 1.178 . . . . 72.44 108.908 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.01 12.32 11.58 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 122.77 0.428 . . . . 74.54 111.632 169.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.478 HG22 ' HB2' ' A' ' 10' ' ' ASP . 61.1 t -66.98 -61.65 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 123.757 0.823 . . . . 75.0 111.893 -178.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -72.93 -31.67 64.77 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.435 0.294 . . . . 73.42 111.183 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -63.35 -35.55 80.77 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 122.492 0.317 . . . . 75.45 111.069 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -57.77 -45.28 86.2 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.135 0.974 . . . . 75.32 111.13 172.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.752 ' SG ' HG22 ' A' ' 63' ' ' VAL . 43.0 t -61.68 -46.23 90.59 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.165 -0.925 . . . . 74.43 111.998 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -56.45 -47.98 78.01 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.569 0.748 . . . . 75.15 111.376 173.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.26 -37.44 80.42 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.17 0.588 . . . . 75.12 112.413 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 75.4 mtm -72.11 -47.05 54.12 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.868 0.467 . . . . 74.11 111.668 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 93.1 mt -60.59 -40.78 93.0 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 122.767 0.427 . . . . 74.42 111.224 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.65 HG22 HE21 ' A' ' 25' ' ' GLN . 85.7 m -64.89 -39.21 93.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.956 0.903 . . . . 73.24 110.901 176.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -65.4 -34.4 78.22 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.625 0.77 . . . . 55.54 111.778 175.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 70' ' ' LEU . . . -65.45 -30.21 70.97 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.904 0.882 . . . . 73.42 112.01 173.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 20' ' ' LEU . 57.2 mt -79.97 -38.41 32.29 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.927 0.491 . . . . 75.15 111.782 177.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.65 HE21 HG22 ' A' ' 21' ' ' THR . 11.4 pt20 -99.23 10.25 41.81 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.249 0.62 . . . . 71.23 112.302 -177.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 t -53.94 -42.72 69.17 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 123.669 0.788 . . . . 73.02 112.769 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -86.38 -24.49 25.75 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 124.073 0.949 . . . . 64.32 110.46 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.6 m80 68.61 6.21 5.33 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 125.88 1.672 . . . . 71.52 113.361 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.15 -26.14 68.4 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.776 0.83 . . . . 75.03 110.817 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CD2' HD21 ' A' ' 83' ' ' LEU . 4.0 t-80 -58.68 -38.58 78.54 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 124.72 1.208 . . . . 71.21 110.756 175.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.38 -39.35 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.817 0.847 . . . . 73.33 110.407 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.04 91.78 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.22 1.008 . . . . 65.02 112.75 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.41 HD13 ' HB3' ' A' ' 83' ' ' LEU . 51.5 mt -77.57 -24.62 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 C-N-CA 123.336 0.654 . . . . 75.01 111.193 175.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.25 22.78 36.63 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 116.764 -0.198 . . . . 73.01 113.084 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.19 125.59 29.58 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.399 0.68 . . . . 74.32 110.424 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.472 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 4.2 m-20 -78.22 97.4 5.51 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.756 0.822 . . . . 74.23 110.879 -175.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.4 p -65.29 -48.95 71.37 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 113.913 1.079 . . . . 54.13 113.913 -170.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.36 -26.19 63.61 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.129 0.418 . . . . 74.2 112.129 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -62.52 -51.36 67.72 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.645 0.778 . . . . 74.21 111.291 171.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 44.6 mt -60.48 -51.55 68.99 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.913 0.485 . . . . 74.05 110.445 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 36.7 t -57.79 -41.29 81.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.542 1.137 . . . . 52.1 112.363 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.469 ' HB2' HG12 ' A' ' 5' ' ' VAL . . . -60.14 -41.53 92.9 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.826 0.851 . . . . 70.43 112.305 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -77.19 -26.14 52.52 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.392 -0.822 . . . . 71.51 111.736 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 98.9 mt -69.15 -37.93 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 122.664 0.386 . . . . 74.22 110.108 170.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 41' ' ' SER . 7.3 mm-40 -55.37 -29.88 59.26 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.436 1.094 . . . . 75.45 112.955 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -66.97 -49.32 65.77 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.432 0.693 . . . . 74.25 111.55 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.42 -43.88 38.38 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.676 0.79 . . . . 64.22 112.741 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.7 tt -67.73 -27.26 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 123.319 0.648 . . . . 74.05 111.656 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -66.06 -24.24 66.69 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.111 0.964 . . . . 74.1 112.348 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -67.96 -48.24 66.39 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.107 0.563 . . . . 73.43 111.998 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -88.71 -55.66 3.62 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 121.686 0.755 . . . . 72.21 111.367 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.643 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 42.6 t -87.79 -10.43 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.067 0.947 . . . . 74.4 113.007 -170.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.51 -2.26 0.43 Allowed Glycine 0 N--CA 1.487 2.063 0 N-CA-C 116.459 1.344 . . . . 75.31 116.459 -174.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.15 96.37 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 123.984 0.914 . . . . 65.22 110.296 158.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.3 p -87.15 20.18 2.83 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 113.665 0.987 . . . . 75.4 113.665 -171.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.77 -81.87 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 122.796 0.438 . . . . 74.21 110.689 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.2 ttt -126.81 -39.55 1.96 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.065 0.546 . . . . 75.02 110.632 175.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.643 ' HE3' ' HA ' ' A' ' 52' ' ' VAL . 3.7 tmmm? -56.63 -36.13 69.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.757 0.823 . . . . 74.13 112.882 -170.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.551 ' HA ' HG13 ' A' ' 52' ' ' VAL . 61.9 t80 -65.82 -35.01 79.47 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 118.287 0.494 . . . . 73.1 111.877 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -44.02 49.33 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.295 1.038 . . . . 74.43 110.466 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -77.24 -30.9 54.73 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.617 1.167 . . . . 74.4 112.232 -172.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.461 ' HE ' ' HA ' ' A' ' 62' ' ' ARG . 0.8 OUTLIER -73.83 -44.05 56.88 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.915 0.486 . . . . 73.41 111.05 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.752 HG22 ' SG ' ' A' ' 16' ' ' CYS . 70.2 t -65.95 -43.22 92.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.225 -0.898 . . . . 71.32 112.574 -177.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -61.47 -33.43 73.74 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 118.572 0.624 . . . . 74.42 111.818 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.5 t -75.37 -31.28 60.46 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.697 0.799 . . . . 73.22 111.056 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.41 ' NH2' HG13 ' A' ' 92' ' ' ILE . 8.9 tpt180 -67.58 -37.24 82.32 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.702 0.801 . . . . 75.03 111.526 176.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.503 HG22 ' HB2' ' A' ' 23' ' ' ALA . 10.6 mm -52.88 -45.89 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 124.143 0.977 . . . . 63.5 112.124 176.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 97.3 p -60.73 -32.9 72.16 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.259 0.624 . . . . 73.02 112.067 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -73.35 -31.36 63.91 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.935 0.894 . . . . 75.0 112.02 175.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.54 ' HB2' ' HB3' ' A' ' 23' ' ' ALA . 88.9 mt -85.47 -8.77 58.19 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.407 0.683 . . . . 73.13 112.137 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HD2' HG23 ' A' ' 67' ' ' ILE . 19.0 ptmt -121.87 14.29 10.77 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.152 0.981 . . . . 75.03 110.751 174.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.53 123.64 20.59 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.779 0.831 . . . . 75.01 112.284 -169.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.87 1.21 50.75 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.814 0.846 . . . . 74.24 113.231 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -96.59 -51.85 4.16 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.207 0.603 . . . . 64.12 109.456 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -98.67 101.76 12.83 Favored Pre-proline 0 N--CA 1.481 1.106 0 N-CA-C 108.685 -0.857 . . . . 72.43 108.685 171.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -79.33 -26.49 4.98 Favored 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.174 1.916 . . . . 75.5 112.182 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.54 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 13.9 t70 -75.58 -30.67 59.71 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.936 0.895 . . . . 72.55 112.633 -165.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.4 tp -55.75 -55.44 32.3 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.43 0.692 . . . . 70.53 111.048 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 -75.6 -29.74 59.35 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.857 0.863 . . . . 74.32 112.788 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.54 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 36.6 ttt180 -59.01 -43.58 91.58 Favored 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 124.143 0.977 . . . . 75.14 112.252 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -70.96 -25.06 62.56 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 115.739 -0.664 . . . . 70.34 111.499 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.5 t -79.98 -26.43 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.671 0 C-N-CA 122.914 0.486 . . . . 74.41 110.933 172.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 80' ' ' ARG . 89.0 mt -65.36 -30.55 71.4 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 124.03 0.932 . . . . 75.23 111.577 173.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.7 p -102.44 -16.48 16.17 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.151 0.581 . . . . 72.03 112.011 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.4 27.55 54.74 Favored Glycine 0 CA--C 1.544 1.874 0 N-CA-C 114.075 0.39 . . . . 55.05 114.075 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.44 -8.97 59.75 Favored 'General case' 0 CA--C 1.563 1.458 0 C-N-CA 124.486 1.115 . . . . 64.04 113.645 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.4 mt -107.7 135.99 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 C-N-CA 123.275 0.63 . . . . 74.24 110.44 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.441 ' OG1' ' HB2' ' A' ' 91' ' ' GLN . 43.1 p -71.46 142.88 87.06 Favored Pre-proline 0 N--CA 1.484 1.26 0 C-N-CA 123.15 0.58 . . . . 74.14 110.625 176.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.47 -24.93 63.86 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 123.377 2.718 . . . . 73.31 114.658 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -73.63 -46.89 44.15 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.12 0.168 . . . . 74.01 110.806 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.441 ' HB2' ' OG1' ' A' ' 88' ' ' THR . 0.0 OUTLIER -58.27 -47.85 82.32 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.848 0.859 . . . . 73.44 111.208 -175.145 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.41 HG13 ' NH2' ' A' ' 66' ' ' ARG . 10.3 tp -63.37 -38.65 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.512 0 C-N-CA 122.876 0.47 . . . . 75.13 111.235 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.31 -31.39 58.16 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.273 0.842 . . . . 64.43 113.273 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.6 m -82.29 -19.58 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 112.376 0.51 . . . . 75.34 112.376 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.7 mtm -75.86 125.84 29.86 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 120.677 0.275 . . . . 74.25 111.619 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.9 p -82.92 179.29 7.81 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.189 0.996 . . . . 74.25 111.567 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -52.65 -34.42 51.4 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 123.515 0.726 . . . . 73.33 112.578 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.95 -54.43 44.89 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.591 1.156 . . . . 72.2 112.055 172.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -78.16 -29.3 48.56 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 115.609 -0.723 . . . . 72.1 112.877 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mtm -74.2 -40.3 62.58 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.253 0.621 . . . . 73.35 111.539 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.37 78.12 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.686 0.395 . . . . 73.11 111.491 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.48 ' HB3' HD22 ' A' ' 105' ' ' LEU . 50.6 m 52.47 95.22 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.905 1.282 . . . . 64.12 113.25 173.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.404 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 13.4 m-20 -59.37 -35.1 73.28 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.327 0.651 . . . . 71.32 112.212 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.22 -41.11 97.18 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.641 0.776 . . . . 73.33 111.883 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 102' ' ' SER . 3.5 mm? -81.86 -15.6 53.49 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 113.208 0.818 . . . . 64.11 113.208 177.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 103' ' ' ASP . 56.6 mtmt -78.58 -28.49 45.87 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.686 0.394 . . . . 73.1 111.7 173.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.534 ' HG3' HG12 ' A' ' 108' ' ' ILE . 11.7 pt-20 -89.2 -32.11 17.6 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.664 0.386 . . . . 75.44 110.44 172.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.534 HG12 ' HG3' ' A' ' 107' ' ' GLU . 37.3 mm -105.04 74.32 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.976 0.91 . . . . 75.24 109.429 176.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -85.57 90.89 8.1 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.743 -0.662 . . . . 75.42 109.413 176.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.6 mptt 67.63 -66.4 0.21 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 125.646 1.578 . . . . 72.1 111.791 -166.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 76.29 -54.39 0.6 Allowed 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 126.141 1.776 . . . . 62.33 112.513 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 86.9 mtp -71.65 101.32 2.5 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.586 0.754 . . . . 74.43 111.622 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.492 1.666 0 C-N-CA 125.068 1.347 . . . . 65.04 112.237 177.813 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 1.377 0 N-CA-C 113.816 1.043 . . . . 74.45 113.816 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -81.57 -60.89 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 118.408 0.549 . . . . 40.03 110.332 168.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -66.99 -44.02 81.47 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.097 0.559 . . . . 72.45 112.233 -172.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -65.76 -33.69 76.45 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.84 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 84.7 tttt -68.38 -43.36 77.5 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.354 0.662 . . . . 50.32 111.168 176.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.4 m -62.18 -44.54 96.36 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.143 0.577 . . . . 63.05 111.343 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.96 -46.44 89.26 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.494 1.117 . . . . 75.15 111.146 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.488 ' HG2' ' HA ' ' A' ' 15' ' ' LYS . 7.6 pt-20 -72.01 -30.59 65.37 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 112.257 0.466 . . . . 72.42 112.257 -177.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.456 ' HB3' HD11 ' A' ' 67' ' ' ILE . 67.8 mtm -71.46 -33.2 69.12 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.697 0.399 . . . . 74.41 111.473 175.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.57 -36.05 80.18 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 122.583 0.353 . . . . 72.15 110.716 170.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -63.76 -42.97 97.71 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.212 0.605 . . . . 72.42 110.607 172.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.53 -30.78 70.52 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.362 1.065 . . . . 74.32 111.647 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -63.93 -31.52 72.73 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.666 0.786 . . . . 34.12 111.788 171.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -86.34 -26.88 24.63 Favored 'General case' 0 CA--C 1.56 1.354 0 CA-C-N 115.319 -0.855 . . . . 51.44 112.171 174.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -89.96 -19.2 24.78 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 113.117 0.784 . . . . 73.54 113.117 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.444 HG21 ' HE2' ' A' ' 71' ' ' LYS . 12.9 t -59.93 -19.72 53.41 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.333 0.653 . . . . 63.14 112.089 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -137.43 150.67 47.8 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.682 1.193 . . . . 70.2 108.656 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -85.55 27.07 0.86 Allowed 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.321 0.648 . . . . 71.1 112.053 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -57.48 -46.21 83.98 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.762 1.225 . . . . 71.53 111.677 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -63.53 -25.58 68.32 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 115.27 -0.877 . . . . 53.44 112.083 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -73.39 -42.17 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.369 0.668 . . . . 73.15 110.614 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.57 97.64 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.441 0.696 . . . . 62.23 111.675 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.666 HD11 ' HD3' ' A' ' 80' ' ' ARG . 62.0 mt -76.45 -23.09 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 C-N-CA 123.605 0.762 . . . . 62.13 111.281 174.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.42 26.29 61.68 Favored Glycine 0 CA--C 1.536 1.404 0 CA-C-N 116.492 -0.322 . . . . 54.31 113.796 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -102.47 130.56 49.3 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.153 0.981 . . . . 75.33 111.08 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -79.02 111.81 15.6 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 121.132 0.492 . . . . 73.11 111.071 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.7 p -69.52 -30.6 68.48 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 114.23 1.196 . . . . 54.05 114.23 -168.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -31.11 71.67 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 113.558 0.947 . . . . 65.11 113.558 -173.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -82.45 -38.41 24.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.063 0.545 . . . . 64.12 110.984 174.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.58 HD11 ' HB1' ' A' ' 35' ' ' ALA . 93.4 mt -60.43 -43.2 97.01 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.708 0.803 . . . . 63.14 111.814 -176.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.4 p -57.39 -46.66 83.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.0 0.92 . . . . 72.42 111.382 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.36 -31.71 71.3 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.367 1.067 . . . . 53.43 112.72 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -67.92 -45.12 75.25 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.256 0.622 . . . . 73.54 111.152 175.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.2 -37.39 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.006 0.522 . . . . 52.22 110.322 173.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.39 -47.08 85.72 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 124.341 1.056 . . . . 75.42 110.763 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.77 -34.63 77.18 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 118.194 0.452 . . . . 64.14 111.711 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.4 m -65.48 -41.5 93.25 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.396 0.678 . . . . 74.44 111.999 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.0 tt -83.49 -25.39 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.445 0 C-N-CA 122.677 0.391 . . . . 74.43 111.155 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -61.2 -27.16 68.22 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 124.713 1.205 . . . . 64.23 112.376 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -60.0 -43.6 95.1 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.149 0.58 . . . . 60.41 111.38 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -90.8 -55.76 3.44 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.757 0.789 . . . . 73.45 111.626 173.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.565 HG12 ' HD1' ' A' ' 59' ' ' TYR . 76.8 t -81.99 -19.47 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 N-CA-C 113.81 1.041 . . . . 73.13 113.81 -167.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.67 -11.42 10.49 Favored Glycine 0 N--CA 1.48 1.632 0 N-CA-C 116.778 1.471 . . . . 44.05 116.778 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -66.08 110.77 3.08 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 121.353 0.596 . . . . 62.25 110.332 169.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.7 p -79.33 14.2 1.63 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 114.163 1.172 . . . . 42.43 114.163 -166.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.95 -50.2 37.13 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.035 0.934 . . . . 70.14 112.631 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.5 -67.03 0.33 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.498 0.319 . . . . 73.5 111.594 -177.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -60.72 -34.13 73.95 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.322 0.86 . . . . 73.54 113.322 -170.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.565 ' HD1' HG12 ' A' ' 52' ' ' VAL . 23.4 t80 -62.0 -31.71 72.11 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 118.421 0.555 . . . . 71.32 112.202 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -71.94 -48.98 41.41 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 122.92 0.488 . . . . 74.43 111.558 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -76.42 -45.0 33.46 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.438 0.695 . . . . 73.22 112.655 -173.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -57.13 -40.57 77.41 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.027 0.931 . . . . 72.03 112.786 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 67' ' ' ILE . 77.2 t -62.97 -45.0 99.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 123.65 0.594 . . . . 54.3 110.878 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -58.78 -47.54 84.34 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.246 0.546 . . . . 63.25 111.191 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.7 t -63.93 -35.4 80.54 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.154 0.981 . . . . 61.23 112.172 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -68.46 -45.72 71.69 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.01 0.924 . . . . 64.24 110.837 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 23' ' ' ALA . 93.7 mt -53.14 -44.98 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 124.586 1.154 . . . . 70.43 110.941 175.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.6 t -57.15 -49.1 76.98 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.289 -0.869 . . . . 74.34 111.817 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -65.74 -29.83 70.41 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.839 0.856 . . . . 73.33 112.755 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.435 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 89.9 mt -76.26 -19.16 58.58 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.872 0.693 . . . . 73.41 112.872 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HE2' HG21 ' A' ' 26' ' ' THR . 19.3 ptpt -121.37 8.28 10.21 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.3 0.64 . . . . 74.01 112.569 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.81 141.14 51.36 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 113.136 0.791 . . . . 74.31 113.136 -169.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.13 -22.34 24.15 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.651 0.78 . . . . 70.41 112.923 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.81 -23.12 39.44 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.95 0.5 . . . . 45.45 110.818 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.47 ' ND2' ' HB2' ' A' ' 78' ' ' LEU . 64.3 t30 -138.35 75.86 38.56 Favored Pre-proline 0 CA--C 1.562 1.424 0 C-N-CA 122.754 0.421 . . . . 63.32 110.625 169.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -80.31 -15.86 11.15 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.862 2.375 . . . . 62.11 113.627 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.66 -17.35 57.8 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 122.852 0.461 . . . . 71.34 111.93 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HB2' ' ND2' ' A' ' 75' ' ' ASN . 42.1 tp -55.69 -51.34 67.6 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.792 0.437 . . . . 60.35 111.798 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -60.67 -38.04 83.6 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 115.877 -0.601 . . . . 73.12 111.544 174.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.666 ' HD3' HD11 ' A' ' 33' ' ' ILE . 9.9 mmt85 -56.07 -46.85 78.84 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.662 0.785 . . . . 62.11 111.839 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -62.47 -39.81 94.61 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.329 0.652 . . . . 65.4 111.968 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.5 t -71.21 -49.51 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 C-N-CA 122.728 0.411 . . . . 75.25 111.543 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 70.6 mt -62.79 -39.11 93.22 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.469 1.108 . . . . 72.03 112.282 -177.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 p -83.49 -5.02 59.04 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.027 0.531 . . . . 51.15 112.392 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.61 16.83 78.66 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 114.73 0.652 . . . . 73.44 114.73 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.66 -46.94 74.06 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.327 0.651 . . . . 74.23 110.847 174.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 57.0 mt -108.9 119.71 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 108.353 -0.98 . . . . 72.32 108.353 169.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 74.9 p -73.41 149.81 89.03 Favored Pre-proline 0 N--CA 1.484 1.236 0 C-N-CA 122.923 0.489 . . . . 75.13 111.83 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -42.91 -38.82 7.24 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 124.407 3.404 . . . . 43.33 115.311 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.99 -47.35 83.49 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.629 0.771 . . . . 74.11 111.895 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -39.51 61.75 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.65 0.78 . . . . 62.1 112.357 -175.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 tp -72.06 -27.82 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 120.86 0.362 . . . . 42.12 111.332 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.32 -46.29 50.29 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.089 0.556 . . . . 72.54 111.606 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.9 m -77.02 -16.28 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 122.9 0.48 . . . . 74.31 112.067 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.534 ' SD ' ' HG2' ' A' ' 100' ' ' MET . 41.4 ttm -67.88 136.41 54.0 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.821 0.449 . . . . 51.31 110.016 171.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.1 p -75.0 155.01 37.8 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.567 0.347 . . . . 72.51 111.184 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -57.32 -32.55 66.81 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.915 0.886 . . . . 75.44 112.575 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -59.43 -51.38 70.15 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.846 0.859 . . . . 75.53 111.416 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.58 -36.99 79.49 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.543 -0.753 . . . . 73.51 111.589 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.534 ' HG2' ' SD ' ' A' ' 95' ' ' MET . 41.5 mtm . . . . . 0 N--CA 1.484 1.267 0 C-N-CA 122.805 0.442 . . . . 73.41 110.851 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.256 0 N-CA-C 112.45 0.537 . . . . 53.53 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.2 t -53.53 -61.05 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 124.054 0.942 . . . . 64.32 111.792 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.427 HH21 ' HG3' ' A' ' 45' ' ' GLU . 53.1 ttt180 -72.56 -34.68 67.65 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.908 0.483 . . . . 75.13 111.314 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.48 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 22.5 t-20 -60.75 -48.53 81.37 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.096 0.558 . . . . 74.01 111.506 -177.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -57.78 -35.73 71.19 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.736 0.814 . . . . 72.13 111.748 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.4 m -59.87 -53.24 60.26 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.381 0.672 . . . . 75.11 110.993 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -55.34 -43.24 74.78 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.194 0.998 . . . . 62.12 111.954 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 13.3 mm-40 -60.82 -47.22 87.33 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.861 0.864 . . . . 71.21 112.429 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.4 mtm -70.53 -30.98 67.87 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.404 0.682 . . . . 64.45 111.976 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.73 -42.2 91.33 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.929 0.491 . . . . 74.42 111.081 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -66.4 -39.94 89.33 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.034 0.533 . . . . 74.31 110.949 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.8 78.43 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.984 0.914 . . . . 70.35 111.62 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.432 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -65.6 -39.06 91.14 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.531 0.732 . . . . 65.33 111.238 173.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.6 mt -74.26 -15.82 60.97 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.386 0.675 . . . . 74.11 112.329 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -115.98 14.41 16.11 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.043 0.937 . . . . 75.32 112.569 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 t -62.89 -40.85 98.81 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.593 0.59 . . . . 51.42 112.593 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -109.94 8.39 24.21 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.351 0.66 . . . . 73.1 110.753 169.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.4 m80 59.05 36.69 24.38 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.178 1.391 . . . . 74.43 111.487 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.91 -32.76 69.84 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.0 1.32 . . . . 61.1 113.105 -171.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -63.31 -23.96 67.65 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.322 0.649 . . . . 60.33 112.235 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.31 -51.81 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.678 0.791 . . . . 74.32 111.29 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.96 -33.91 69.37 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.657 0.783 . . . . 74.03 112.387 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.509 HG21 ' HA ' ' A' ' 84' ' ' CYS . 59.5 mt -84.09 -32.56 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 C-N-CA 123.415 0.686 . . . . 61.12 111.283 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.52 28.63 29.3 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 114.238 0.455 . . . . 34.31 114.238 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.69 147.07 37.56 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.806 0.842 . . . . 63.41 110.898 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -83.2 114.88 21.66 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.638 0.375 . . . . 73.53 110.48 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.0 p -73.43 -26.44 60.95 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.781 0.832 . . . . 63.1 112.893 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.94 -40.88 78.71 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.864 0.866 . . . . 60.43 112.132 -171.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -66.53 -34.25 77.48 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 115.683 -0.689 . . . . 72.43 111.246 174.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.78 -43.44 68.72 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.373 0.669 . . . . 65.44 111.336 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.3 p -65.81 -30.44 71.07 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.064 0.946 . . . . 64.11 111.87 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.58 -35.32 77.21 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.411 0.685 . . . . 74.24 111.582 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -74.69 -32.41 62.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.112 0.565 . . . . 70.45 111.624 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.95 -43.73 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 109.535 -0.542 . . . . 73.2 109.535 170.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG3' HH21 ' A' ' 13' ' ' ARG . 11.2 tp10 -57.87 -50.37 73.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.628 1.171 . . . . 72.34 111.788 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.96 -40.13 96.75 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 111.967 0.358 . . . . 75.11 111.967 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.7 m -65.9 -42.73 89.83 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.233 0.613 . . . . 73.03 112.482 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.2 tt -73.78 -32.44 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.418 0 C-N-CA 122.425 0.29 . . . . 71.2 110.825 175.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.65 -25.93 68.17 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.131 0.972 . . . . 71.42 113.133 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -56.59 -66.12 0.49 Allowed 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.048 0.539 . . . . 73.33 111.676 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -90.41 -44.17 9.81 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.637 0.775 . . . . 51.11 112.182 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.2 t -92.24 -12.81 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 123.691 0.796 . . . . 70.01 112.232 -168.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.7 30.34 1.05 Allowed Glycine 0 CA--C 1.549 2.182 0 N-CA-C 116.24 1.256 . . . . 64.52 116.24 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -77.53 -5.98 52.0 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.701 1.2 . . . . 74.5 111.989 169.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.4 p 64.98 24.49 12.65 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 126.313 1.845 . . . . 73.45 113.491 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.22 168.49 18.14 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 123.83 0.852 . . . . 74.43 110.309 170.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.1 ptm -55.39 -26.02 38.98 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.595 0.758 . . . . 75.23 112.581 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -55.63 -50.68 69.53 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.315 0.646 . . . . 72.42 110.98 171.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -65.62 -46.09 80.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.209 1.004 . . . . 74.23 112.025 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -60.9 -51.36 69.59 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.449 0.7 . . . . 74.31 111.763 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -73.26 -27.35 61.52 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.556 -0.747 . . . . 74.31 111.879 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 1.3 tpm_? -68.26 -44.71 75.01 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 117.686 0.221 . . . . 71.42 110.43 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.4 -48.74 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.359 0.664 . . . . 74.12 110.417 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HA ' HD12 ' A' ' 67' ' ' ILE . 47.8 mtm-85 -62.61 -34.19 76.52 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.059 0.544 . . . . 63.4 112.072 177.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.7 t -65.87 -42.51 90.25 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.268 0.627 . . . . 51.42 110.94 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.585 ' NH1' ' SD ' ' A' ' 100' ' ' MET . 33.6 mmt180 -54.89 -55.36 31.39 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.074 0.55 . . . . 52.14 109.625 175.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 64' ' ' ARG . 57.4 mt -52.45 -45.97 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 C-N-CA 124.593 1.157 . . . . 71.31 111.723 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 t -61.68 -42.51 99.02 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.947 0.899 . . . . 70.14 111.9 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -72.61 -34.33 67.3 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.279 0.632 . . . . 63.53 111.607 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 66' ' ' ARG . 96.0 mt -64.01 -41.08 97.59 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.599 0.76 . . . . 63.42 111.167 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -101.77 13.93 33.44 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.522 0.729 . . . . 63.22 112.34 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.0 145.2 56.66 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.267 0.627 . . . . 73.54 112.321 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.11 79.58 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.471 0.708 . . . . 74.32 112.379 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -11.51 32.09 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.369 0.668 . . . . 63.15 111.466 -178.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -139.79 60.82 16.66 Favored Pre-proline 0 CA--C 1.576 1.974 0 C-N-CA 124.221 1.008 . . . . 71.51 111.114 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -75.95 -33.06 3.93 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 122.448 2.099 . . . . 51.34 113.421 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -73.02 -14.64 61.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.424 1.09 . . . . 61.0 112.735 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 100' ' ' MET . 53.7 tp -52.51 -46.65 66.74 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.966 0.906 . . . . 64.13 112.732 -174.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.405 ' HB3' ' HB3' ' A' ' 70' ' ' LEU . 34.3 ptt-85 -67.66 -37.58 82.58 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.35 0.66 . . . . 63.33 111.743 173.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -71.88 -27.69 63.02 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.602 1.161 . . . . 62.11 111.243 -172.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.75 -34.78 77.51 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.844 0.857 . . . . 73.12 110.831 174.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.3 t -67.41 -43.25 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 CA-C-O 121.433 0.635 . . . . 51.11 110.024 172.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.13 -24.84 64.15 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.27 1.028 . . . . 73.13 112.255 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.509 ' HA ' HG21 ' A' ' 33' ' ' ILE . 38.9 t -85.03 -10.0 57.42 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.865 0.866 . . . . 70.22 111.797 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.12 18.85 62.04 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.522 -0.308 . . . . 74.24 113.789 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.3 -58.67 2.5 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.585 0.754 . . . . 65.13 110.778 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.5 mt -91.51 132.46 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.506 0.723 . . . . 64.02 109.636 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.7 p -82.87 150.94 63.17 Favored Pre-proline 0 N--CA 1.487 1.414 0 CA-C-N 117.569 0.168 . . . . 54.43 110.873 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -48.05 -36.59 28.41 Favored 'Trans proline' 0 C--N 1.379 2.158 0 C-N-CA 123.611 2.874 . . . . 74.04 115.345 174.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -70.7 -40.43 72.86 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 119.147 -0.454 . . . . 73.3 111.552 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -56.97 -53.2 60.75 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 122.917 0.487 . . . . 71.4 111.225 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.7 tp -67.5 -22.97 29.26 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.686 0 CA-C-N 115.954 -0.566 . . . . 74.41 111.69 -177.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.31 -32.59 26.26 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.879 0.871 . . . . 63.55 113.264 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.17 -34.96 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 112.367 0.506 . . . . 63.31 112.367 -175.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.3 mtm -66.87 145.09 55.84 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 122.553 0.341 . . . . 54.15 110.993 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.9 p -73.76 158.96 33.66 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.574 0.349 . . . . 63.52 110.373 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.2 t -57.64 -30.82 65.7 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.28 0.632 . . . . 72.33 111.682 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -64.57 -40.7 96.02 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.971 0.909 . . . . 72.23 111.771 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.11 -30.35 58.22 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.541 0.736 . . . . 74.13 111.931 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.585 ' SD ' ' NH1' ' A' ' 66' ' ' ARG . 82.5 mtp . . . . . 0 N--CA 1.483 1.215 0 C-N-CA 124.029 0.931 . . . . 74.11 111.286 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.285 0 N-CA-C 114.836 1.421 . . . . 53.35 114.836 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -62.32 -47.12 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 124.217 1.007 . . . . 43.45 111.657 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.449 HH22 ' CD ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -70.93 -29.49 65.54 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.218 -0.901 . . . . 72.34 112.157 -178.482 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.59 -38.27 90.43 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.718 0.407 . . . . 74.31 110.414 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -63.48 -44.17 95.17 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.644 0.59 . . . . 73.11 111.145 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.8 t -57.09 -49.99 74.18 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.748 0.419 . . . . 71.2 111.335 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -59.63 -50.56 73.41 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.977 0.911 . . . . 74.31 112.27 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.4 -33.25 74.79 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 112.439 0.533 . . . . 64.02 112.439 -175.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.461 ' HB3' HD13 ' A' ' 67' ' ' ILE . 51.3 mtm -75.25 -38.89 60.32 Favored 'General case' 0 CA--C 1.562 1.417 0 N-CA-C 112.663 0.616 . . . . 75.21 112.663 177.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.61 -37.55 87.77 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 123.074 0.55 . . . . 71.24 110.416 171.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.0 m -64.64 -42.02 95.73 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.002 0.921 . . . . 75.14 110.814 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.91 -30.84 71.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.928 0.891 . . . . 62.44 111.77 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.541 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -64.34 -41.45 96.77 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.068 0.547 . . . . 71.13 110.94 171.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -76.38 -8.85 57.99 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.469 0.708 . . . . 71.24 112.377 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -115.1 -7.46 12.47 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 124.18 0.992 . . . . 74.13 112.952 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 t -65.11 -29.32 70.17 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 112.778 0.659 . . . . 65.22 112.778 -169.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -108.85 -3.39 17.7 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.167 0.987 . . . . 62.32 110.543 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.4 m80 62.28 25.57 15.29 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 124.672 1.189 . . . . 73.21 110.291 -163.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -59.81 -39.08 83.82 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.889 1.676 . . . . 64.34 112.86 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -67.62 -32.32 72.96 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 112.012 0.375 . . . . 72.0 112.012 176.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -69.06 -43.22 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 C-N-CA 123.329 0.652 . . . . 63.24 110.68 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.75 -31.07 69.85 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.243 -0.89 . . . . 64.43 112.316 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.4 mt -85.68 -28.48 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.164 0.586 . . . . 73.32 111.803 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.32 56.13 3.08 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-O 120.921 0.178 . . . . 74.13 112.968 -175.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.61 136.32 50.52 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.138 0.975 . . . . 52.22 111.408 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 7.1 m-20 -74.58 92.3 2.39 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.375 0.67 . . . . 51.51 110.303 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.9 p -63.05 -52.06 64.29 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.095 1.146 . . . . 54.24 114.095 -166.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.38 -25.45 66.79 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 111.858 0.318 . . . . 61.12 111.858 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -74.24 -43.42 57.11 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.437 1.095 . . . . 63.14 111.614 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 42.6 mt -66.14 -51.16 60.48 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.754 -0.462 . . . . 55.21 109.754 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -58.1 -30.78 66.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.871 1.268 . . . . 74.15 112.574 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 46' ' ' GLU . . . -65.11 -57.32 8.9 Favored 'General case' 0 C--O 1.209 -1.069 0 N-CA-C 109.638 -0.505 . . . . 44.34 109.638 171.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.486 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . 46.5 mt-30 -57.44 -25.6 59.91 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 123.526 0.73 . . . . 73.32 112.699 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.422 HG23 ' HA ' ' A' ' 93' ' ' ALA . 90.8 mt -74.67 -49.04 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.379 0 C-N-CA 123.974 0.91 . . . . 75.23 111.047 168.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -67.18 -47.23 71.58 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.489 0.716 . . . . 74.42 111.859 -171.697 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' CD ' HH22 ' A' ' 13' ' ' ARG . 3.1 mm-40 -52.66 -34.76 53.07 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.113 0.565 . . . . 54.54 111.061 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.9 m -77.17 -50.28 13.31 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.45 0.7 . . . . 53.4 112.756 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 45' ' ' GLU . 12.5 tt -66.79 -25.78 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 122.065 -0.397 . . . . 72.51 111.042 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.675 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 62.0 t80 -70.22 -27.81 64.77 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.699 0.799 . . . . 71.43 111.476 175.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -71.43 -54.8 9.47 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.466 0.306 . . . . 73.43 110.993 173.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.37 -56.6 4.84 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.969 0.729 . . . . 45.42 112.969 -173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.76 -21.4 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 C-N-CA 123.126 0.57 . . . . 75.23 111.704 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.675 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -76.41 33.01 1.36 Allowed Glycine 0 N--CA 1.476 1.318 0 N-CA-C 116.561 1.384 . . . . 41.52 116.561 -169.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -73.92 3.07 7.27 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 123.312 0.645 . . . . 62.24 111.727 170.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p 58.47 24.25 11.61 Favored 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 126.172 1.789 . . . . 61.05 113.339 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -73.96 -58.02 3.58 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 123.909 0.884 . . . . 71.45 112.69 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.3 ttm -172.59 -61.9 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.033 0.933 . . . . 73.42 110.394 -175.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -57.05 -31.8 65.55 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.006 0.922 . . . . 75.31 112.664 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.8 t80 -53.49 -54.39 37.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.443 1.097 . . . . 74.01 112.094 176.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.46 -35.97 82.64 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.942 -0.572 . . . . 74.52 112.011 -175.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -75.26 -33.22 61.26 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.098 0.559 . . . . 63.51 111.896 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -61.06 -46.23 91.52 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.257 0.623 . . . . 75.44 110.853 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 59' ' ' TYR . 53.9 t -63.23 -49.45 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 O-C-N 123.971 0.794 . . . . 63.21 110.921 178.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -51.17 -50.34 59.18 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 123.928 0.891 . . . . 61.33 112.497 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.7 t -69.91 -35.42 74.57 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.964 -0.562 . . . . 30.32 111.995 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -64.52 -48.35 75.44 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.068 0.547 . . . . 73.3 111.069 -175.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.68 HG22 ' HE3' ' A' ' 71' ' ' LYS . 58.8 mt -58.78 -41.72 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.67 1.188 . . . . 53.32 111.14 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -63.6 -35.79 81.66 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 115.706 -0.679 . . . . 72.2 111.725 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -75.49 -29.68 59.63 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.789 0.835 . . . . 62.4 111.785 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.69 -54.47 19.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.245 0.618 . . . . 72.24 110.781 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.68 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.8 ptpt -80.36 4.77 16.83 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.721 0.808 . . . . 72.43 112.381 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.63 129.62 40.5 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.89 0.876 . . . . 73.05 111.733 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.82 -23.36 59.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.497 0.719 . . . . 74.22 112.002 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -76.33 -30.9 57.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.123 0.569 . . . . 72.24 111.348 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -140.73 77.72 21.72 Favored Pre-proline 0 CA--C 1.562 1.442 0 C-N-CA 123.216 0.606 . . . . 72.31 111.127 173.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -83.4 -13.81 8.43 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.619 2.212 . . . . 74.51 112.841 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.51 -24.2 65.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.326 1.05 . . . . 72.05 112.468 174.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.43 HD21 ' SD ' ' A' ' 100' ' ' MET . 38.0 tp -54.26 -41.8 69.21 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.364 0.666 . . . . 73.51 111.455 175.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -73.78 -49.18 26.63 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.017 0.527 . . . . 74.34 111.662 171.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -56.87 -39.6 74.62 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.382 0.882 . . . . 65.01 113.382 -171.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -68.28 -33.92 75.22 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.898 0.479 . . . . 75.34 112.053 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.4 t -75.31 -41.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-O 121.115 0.483 . . . . 65.44 110.854 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.459 HD23 HD12 ' A' ' 40' ' ' LEU . 86.7 mt -66.78 -35.16 79.44 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.994 0.918 . . . . 63.31 112.134 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.5 m -81.57 -6.02 58.58 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.467 0.707 . . . . 75.13 112.275 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.76 21.47 68.7 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 114.499 0.56 . . . . 62.31 114.499 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.92 -61.17 1.97 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.673 0.789 . . . . 52.23 111.093 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 55.9 mt -84.95 119.45 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 109.215 -0.661 . . . . 75.12 109.215 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.5 p -74.82 146.44 82.93 Favored Pre-proline 0 CA--C 1.558 1.276 0 CA-C-O 119.301 -0.381 . . . . 43.04 111.351 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.486 ' HB3' ' HB3' ' A' ' 43' ' ' GLN . 11.6 Cg_exo -39.01 -42.87 2.17 Favored 'Trans proline' 0 C--N 1.385 2.473 0 C-N-CA 125.214 3.942 . . . . 75.42 116.95 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -46.91 72.98 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.988 0.515 . . . . 74.12 110.193 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -62.12 -52.98 61.7 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.805 0.842 . . . . 64.42 111.88 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.6 tp -61.08 -43.41 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 122.937 0.495 . . . . 74.23 111.843 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HA ' HG23 ' A' ' 44' ' ' ILE . . . -54.26 -45.96 72.53 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.432 0.693 . . . . 74.22 112.801 -176.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 m -97.02 -3.31 10.13 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 113.16 0.8 . . . . 72.4 113.16 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 40.1 ttp -68.69 129.81 41.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.819 0.448 . . . . 62.0 111.863 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.1 p -78.87 163.58 25.18 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.742 0.817 . . . . 74.32 112.219 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.1 p -59.51 -29.28 67.75 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 123.758 0.823 . . . . 61.44 112.297 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -62.44 -50.7 70.43 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.342 1.057 . . . . 75.13 110.975 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -72.99 -31.73 64.7 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 114.721 -1.127 . . . . 60.45 112.67 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.43 ' SD ' HD21 ' A' ' 78' ' ' LEU . 66.7 mtm . . . . . 0 N--CA 1.484 1.255 0 C-N-CA 122.754 0.422 . . . . 61.44 111.544 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 14' ' ' ASN . . . . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 113.796 1.035 . . . . 54.25 113.796 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.3 t -57.77 -61.33 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.916 0.486 . . . . 72.54 111.005 173.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -34.41 68.72 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.314 -0.403 . . . . 74.22 111.192 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.7 t-20 -55.98 -50.82 69.75 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.768 0.427 . . . . 71.34 111.511 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.39 -33.24 75.49 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 123.509 0.506 . . . . 75.42 111.795 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.2 m -64.15 -41.14 97.3 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.802 0.441 . . . . 45.4 111.613 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -59.05 -45.35 90.97 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.277 0.631 . . . . 61.21 110.876 171.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 25.0 mm-40 -61.0 -34.41 74.76 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.807 0.443 . . . . 72.1 111.98 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.4 mtm -75.69 -30.85 59.49 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.0 0.52 . . . . 70.41 112.187 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.09 -38.2 85.29 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.882 0.473 . . . . 73.53 110.38 171.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 m -64.26 -42.05 96.65 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.822 0.849 . . . . 61.44 110.353 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.0 71.64 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.909 0.884 . . . . 75.21 112.041 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -69.99 -43.53 71.27 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.467 0.707 . . . . 74.34 111.091 171.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 95.7 mt -77.08 -9.29 58.63 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 113.284 0.846 . . . . 70.24 113.284 -178.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -122.61 18.3 10.39 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.502 0.721 . . . . 75.45 111.148 175.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 t -58.17 -26.66 63.02 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 123.794 0.837 . . . . 73.54 113.155 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -127.02 9.57 6.85 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.51 0.724 . . . . 64.15 110.563 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 m80 57.35 23.23 8.66 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.203 1.001 . . . . 74.34 110.921 -166.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.64 -24.48 66.75 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.157 1.783 . . . . 74.04 114.238 -169.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -57.78 -27.89 63.49 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.376 0.67 . . . . 73.34 112.564 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -66.65 -38.66 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 C-N-CA 123.955 0.902 . . . . 75.2 111.732 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.78 -31.25 68.22 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.089 0.955 . . . . 75.13 112.897 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.468 HD13 ' SG ' ' A' ' 84' ' ' CYS . 67.4 mt -101.04 -23.62 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 123.99 0.916 . . . . 62.35 110.956 178.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.72 27.63 41.52 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-N 116.344 -0.389 . . . . 73.21 113.766 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.06 151.25 21.1 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.965 0.906 . . . . 75.31 112.661 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -90.11 88.57 7.32 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.76 0.824 . . . . 73.15 109.753 174.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 26.7 p -68.91 -38.73 79.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.976 0.91 . . . . 61.4 113.435 -170.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -33.47 75.26 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 122.59 0.356 . . . . 74.52 111.625 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -68.27 -42.68 79.23 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.537 0.735 . . . . 75.43 109.696 174.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 44' ' ' ILE . 96.3 mt -58.3 -45.97 87.0 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.915 0.486 . . . . 74.32 111.106 174.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -56.41 -41.01 75.62 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.269 1.028 . . . . 73.43 112.509 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -47.11 87.44 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.851 -0.613 . . . . 71.32 111.409 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -63.85 -44.92 91.71 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.593 0.757 . . . . 75.3 112.271 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 40' ' ' LEU . 85.2 mt -60.38 -50.92 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.111 0.964 . . . . 74.02 110.66 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -62.58 -48.46 79.38 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.843 -0.617 . . . . 64.4 111.498 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -62.67 -31.76 72.7 Favored 'General case' 0 CA--C 1.556 1.178 0 N-CA-C 113.216 0.821 . . . . 73.2 113.216 -176.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.8 m -62.03 -50.04 73.59 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.814 0.446 . . . . 64.12 112.104 172.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.638 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 10.3 tt -77.56 -25.17 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 C-N-CA 123.101 0.56 . . . . 71.12 111.572 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -62.21 -30.75 71.3 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.401 1.08 . . . . 73.34 112.63 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -57.54 -50.02 74.44 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 123.624 0.77 . . . . 74.35 111.984 -174.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -90.02 -55.51 3.59 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.562 0.696 . . . . 72.31 112.268 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.493 HG13 ' HE2' ' A' ' 58' ' ' LYS . 77.0 t -79.71 -25.26 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 124.072 0.949 . . . . 73.24 112.891 -167.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.18 24.28 1.11 Allowed Glycine 0 CA--C 1.545 1.95 0 N-CA-C 115.751 1.061 . . . . 61.23 115.751 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.522 HD21 ' HD3' ' A' ' 58' ' ' LYS . 25.8 p30 -66.31 -17.21 64.62 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.059 1.344 . . . . 64.22 112.063 166.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p 60.71 20.3 10.33 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 126.062 1.745 . . . . 74.44 114.224 172.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -66.35 -66.64 0.53 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.761 0.424 . . . . 74.32 111.328 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -153.14 -42.37 0.1 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 122.935 0.494 . . . . 73.32 111.487 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.541 ' O ' ' HG2' ' A' ' 62' ' ' ARG . 21.4 ptmt -52.83 -46.31 67.71 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.478 0.711 . . . . 53.31 112.198 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 87.2 t80 -56.68 -45.26 81.83 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.071 0.948 . . . . 73.21 112.534 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.529 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 10.7 mmpt? -55.73 -44.97 78.01 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.68 0.792 . . . . 74.04 111.654 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -69.58 -39.72 77.14 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.805 -0.634 . . . . 71.2 111.652 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 24.4 mmt85 -66.71 -33.86 76.58 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 122.782 0.433 . . . . 71.24 111.737 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 59' ' ' TYR . 81.0 t -64.16 -48.77 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.189 0.596 . . . . 63.11 110.733 174.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -58.53 -45.17 89.42 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.704 0.401 . . . . 73.5 111.229 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.3 m -62.99 -38.63 91.95 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.964 0.905 . . . . 74.32 111.746 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -67.88 -52.83 32.0 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.655 0.382 . . . . 75.34 110.711 -178.637 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.469 HG23 ' HB2' ' A' ' 23' ' ' ALA . 93.8 mt -54.69 -43.43 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 124.504 1.122 . . . . 70.21 111.392 175.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.7 t -57.58 -49.75 75.39 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.003 0.921 . . . . 72.1 111.903 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 13.4 m120 -67.68 -31.85 72.1 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.193 0.597 . . . . 73.42 112.225 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.97 -40.72 91.5 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.013 0.525 . . . . 53.04 111.511 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 18.8 ptpt -102.31 14.91 30.7 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 123.4 0.68 . . . . 75.15 112.098 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.464 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 27.1 t70 -65.31 141.06 58.72 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.641 0.776 . . . . 74.25 112.514 -173.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.88 -19.16 27.74 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.432 0.693 . . . . 73.44 112.353 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -88.91 -23.17 22.79 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.007 0.523 . . . . 64.21 111.325 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -143.92 73.21 16.7 Favored Pre-proline 0 CA--C 1.569 1.684 0 C-N-CA 123.291 0.636 . . . . 65.34 109.619 174.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.27 -26.25 9.15 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 123.615 2.877 . . . . 72.42 114.171 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -66.01 -18.15 65.15 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.059 0.944 . . . . 71.23 113.198 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.7 tp -52.34 -52.45 53.25 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.344 1.058 . . . . 61.3 112.598 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.418 ' HG3' HD23 ' A' ' 24' ' ' LEU . 37.8 ttp-105 -58.6 -41.35 85.6 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.745 -1.116 . . . . 73.22 111.241 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -69.17 -32.65 72.12 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.458 1.103 . . . . 73.25 111.86 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -70.24 -34.92 73.44 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.368 0.667 . . . . 51.41 111.614 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.84 -40.94 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.118 0.567 . . . . 54.32 110.443 173.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 79' ' ' ARG . 71.9 mt -63.77 -35.79 81.75 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.634 0.773 . . . . 63.34 111.98 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 33' ' ' ILE . 86.4 m -80.89 -13.67 58.7 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.337 0.655 . . . . 52.21 112.444 177.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.86 75.35 Favored Glycine 0 N--CA 1.476 1.306 0 N-CA-C 114.079 0.392 . . . . 71.34 114.079 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.35 -38.81 78.29 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.44 0.696 . . . . 71.21 110.682 173.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 55.8 mt -103.66 129.28 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.846 0.858 . . . . 71.5 109.797 175.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.4 p -78.4 151.97 78.23 Favored Pre-proline 0 N--CA 1.486 1.345 0 C-N-CA 122.935 0.494 . . . . 43.21 110.986 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -50.54 -34.41 42.42 Favored 'Trans proline' 0 C--N 1.382 2.317 0 C-N-CA 123.433 2.756 . . . . 55.24 114.249 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -67.73 -44.86 76.59 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.742 0.817 . . . . 74.31 111.494 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -64.26 -55.35 22.07 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.35 0.66 . . . . 54.32 111.947 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.4 tp -63.96 -34.63 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 C-N-CA 123.086 0.554 . . . . 62.1 112.253 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.638 ' HB1' ' HB ' ' A' ' 48' ' ' ILE . . . -59.2 -48.75 80.46 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.05 0.54 . . . . 50.14 112.395 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.2 m -99.13 8.61 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.468 0.707 . . . . 64.31 112.027 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 59.7 ttm -63.83 128.37 35.51 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.121 0.568 . . . . 75.53 111.918 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.1 p -89.6 160.37 16.7 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.188 0.595 . . . . 70.12 110.803 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.8 p -59.04 -36.22 74.66 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 124.052 0.941 . . . . 71.42 112.456 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.45 -50.21 64.13 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.264 1.026 . . . . 64.43 110.844 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.21 -40.85 94.71 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.898 1.279 . . . . 73.15 111.909 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.8 tmm? . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 124.907 1.283 . . . . 64.0 111.681 -177.095 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 112.821 0.675 . . . . 64.34 112.821 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.8 t -71.17 -47.39 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 122.86 0.464 . . . . 61.32 110.228 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -60.38 -34.63 74.17 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.545 -0.752 . . . . 74.24 111.76 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.39 -55.46 34.75 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.506 0.723 . . . . 73.4 110.692 176.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 9.7 mptt -69.33 -43.54 73.49 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.148 -0.933 . . . . 74.04 112.224 -175.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m -61.72 -42.51 99.05 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.913 0.485 . . . . 50.43 111.682 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.477 HH21 ' HG2' ' A' ' 38' ' ' GLU . 77.7 ttt180 -64.39 -51.39 63.48 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.996 0.518 . . . . 74.31 111.862 176.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' HG2' ' HA ' ' A' ' 15' ' ' LYS . 12.1 pt-20 -68.11 -32.75 73.27 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 112.433 0.531 . . . . 75.42 112.433 -175.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.617 ' SD ' HD11 ' A' ' 67' ' ' ILE . 22.5 ptp -75.8 -32.27 59.81 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 112.504 0.557 . . . . 75.44 112.504 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.03 -38.46 72.6 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 110.13 -0.322 . . . . 75.05 110.13 171.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -62.59 -35.53 79.82 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.361 0.664 . . . . 71.42 110.825 171.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.589 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -67.3 -36.04 80.69 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.095 0.958 . . . . 70.21 111.712 176.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.13 -27.85 67.66 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.588 0.755 . . . . 70.3 111.824 173.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -82.02 -29.43 31.99 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.509 0.723 . . . . 51.22 112.329 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.589 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 19.6 pt20 -103.33 12.36 35.52 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 123.691 0.797 . . . . 71.04 112.191 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -55.98 -37.67 69.39 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.135 0.974 . . . . 62.01 112.428 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.76 -87.99 0.45 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.427 0.691 . . . . 73.32 109.288 170.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -174.47 18.6 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 CA-C-N 118.601 0.637 . . . . 75.33 111.815 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.81 -40.89 76.81 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 125.461 1.504 . . . . 63.12 114.656 -162.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -63.9 -25.5 68.18 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.192 0.597 . . . . 74.53 112.167 -173.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.3 t -73.49 -48.01 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.509 0.724 . . . . 73.13 111.127 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.08 70.17 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.688 0.795 . . . . 71.0 112.585 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.531 HD11 ' HG3' ' A' ' 80' ' ' ARG . 70.4 mt -86.92 -31.48 6.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 123.606 0.763 . . . . 63.4 111.407 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.49 45.46 8.66 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 116.524 -0.307 . . . . 73.11 113.445 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.16 129.52 27.62 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.591 0.756 . . . . 63.22 110.251 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.66 117.39 9.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.201 0.6 . . . . 54.4 111.122 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.7 p -72.99 -21.98 60.76 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 113.221 0.822 . . . . 30.05 113.221 -175.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.477 ' HG2' HH21 ' A' ' 17' ' ' ARG . 39.4 tt0 -66.95 -48.55 68.23 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.068 0.547 . . . . 72.42 112.008 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -67.12 -35.06 78.93 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.462 0.705 . . . . 71.11 112.173 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.426 ' O ' HG13 ' A' ' 44' ' ' ILE . 79.8 mt -65.71 -47.16 76.31 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.204 0.601 . . . . 54.11 110.48 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.446 ' HA ' HD12 ' A' ' 44' ' ' ILE . 45.3 t -63.51 -31.4 72.55 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.042 0.937 . . . . 75.01 112.241 175.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.81 -40.56 88.1 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.53 0.732 . . . . 73.11 111.37 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -70.17 -31.23 68.61 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 116.337 -0.392 . . . . 63.02 111.731 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 41' ' ' SER . 76.6 mt -60.97 -43.41 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 122.761 0.424 . . . . 64.31 110.091 171.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.19 -41.26 78.99 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.068 0.947 . . . . 74.04 112.917 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.44 -51.39 63.37 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.057 0.543 . . . . 75.41 111.879 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.97 -34.94 79.62 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.456 -0.793 . . . . 73.41 112.604 -175.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 tt -77.51 -35.17 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 109.957 -0.386 . . . . 52.45 109.957 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.76 -28.2 69.81 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.621 0.769 . . . . 63.44 112.877 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 -70.31 -39.55 74.75 Favored 'General case' 0 CA--C 1.557 1.214 0 O-C-N 121.665 -0.647 . . . . 73.35 111.618 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -86.09 -38.69 17.53 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.526 0.73 . . . . 71.43 111.577 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 58' ' ' LYS . 40.8 t -110.21 -9.8 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 124.42 1.088 . . . . 72.32 112.969 -163.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.63 5.01 0.19 Allowed Glycine 0 N--CA 1.489 2.193 0 N-CA-C 117.723 1.849 . . . . 72.2 117.723 -171.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -74.19 1.55 11.05 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 123.992 0.917 . . . . 73.24 111.596 165.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.1 p 61.25 -105.74 0.21 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.361 1.864 . . . . 65.13 111.369 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t70 60.06 -179.27 0.09 Allowed 'General case' 0 CA--C 1.578 2.04 0 CA-C-N 118.963 0.801 . . . . 72.5 111.713 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -22.92 64.09 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.508 -0.745 . . . . 72.02 111.732 169.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.656 ' HD2' HG13 ' A' ' 52' ' ' VAL . 2.6 tmtp? -56.5 -52.12 65.92 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.527 0.731 . . . . 72.33 110.406 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -65.93 -52.28 51.25 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.201 0.6 . . . . 75.14 111.92 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.02 -43.78 98.38 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.12 0.968 . . . . 72.54 112.907 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -76.51 -39.93 51.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.618 0.599 . . . . 75.23 112.618 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -66.12 -37.1 84.9 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.164 0.431 . . . . 75.31 112.164 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.435 HG12 ' SD ' ' A' ' 19' ' ' MET . 87.0 t -64.31 -55.22 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 122.535 0.334 . . . . 42.4 111.211 176.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -62.04 -31.82 72.26 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 112.24 0.459 . . . . 75.53 112.24 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 t -69.91 -49.21 54.35 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.595 0.758 . . . . 72.31 111.919 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -59.76 -31.43 69.65 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 112.949 0.722 . . . . 54.13 112.949 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.617 HD11 ' SD ' ' A' ' 19' ' ' MET . 69.0 mt -52.13 -50.22 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.211 0.604 . . . . 55.32 111.627 175.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.2 p -66.14 -37.3 85.35 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.24 0.616 . . . . 65.35 111.678 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.81 -40.87 92.28 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 123.947 0.899 . . . . 73.42 112.119 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.74 -44.22 82.08 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.616 0.766 . . . . 74.42 111.251 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.2 ptpt -84.57 -2.68 57.74 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.012 0.745 . . . . 72.53 113.012 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -71.99 143.52 49.17 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 120.951 0.405 . . . . 65.24 111.454 -175.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.51 -17.11 61.77 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 113.268 0.84 . . . . 65.23 113.268 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -72.45 -46.58 54.34 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 122.727 0.411 . . . . 72.21 110.045 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.409 ' HB3' ' HB2' ' A' ' 78' ' ' LEU . 2.1 m-20 -124.11 76.23 59.47 Favored Pre-proline 0 CA--C 1.566 1.596 0 C-N-CA 123.393 0.677 . . . . 52.3 111.823 178.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.12 -26.49 7.63 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 122.09 1.86 . . . . 70.14 111.59 166.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.653 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 4.3 m-20 -67.25 -18.47 65.23 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.905 0.882 . . . . 72.44 112.346 174.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 75' ' ' ASN . 61.8 tp -59.15 -55.94 28.5 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.168 0.587 . . . . 75.23 110.92 175.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -73.99 -34.59 64.25 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.068 -0.515 . . . . 73.04 110.827 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.653 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 15.9 ttt180 -58.78 -41.66 87.18 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.219 1.008 . . . . 74.41 112.053 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -69.32 -31.75 70.41 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.042 0.537 . . . . 72.12 111.755 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 87' ' ' ILE . 52.6 t -66.43 -42.41 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-O 121.343 0.592 . . . . 63.43 110.443 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 68.7 mt -69.91 -30.9 68.43 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.145 0.978 . . . . 74.44 112.026 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.8 t -85.89 -15.24 42.39 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.571 0.748 . . . . 75.21 111.781 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.41 8.56 77.47 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 114.451 0.54 . . . . 74.13 114.451 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.9 -54.75 13.81 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.452 0.701 . . . . 30.11 110.426 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 82' ' ' VAL . 79.7 mt -89.93 123.0 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 108.333 -0.988 . . . . 60.14 108.333 167.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 91' ' ' GLN . 30.8 p -75.24 153.61 86.21 Favored Pre-proline 0 N--CA 1.48 1.053 0 C-N-CA 122.189 0.196 . . . . 74.54 110.979 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -52.07 -23.69 17.82 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 123.175 2.583 . . . . 64.41 114.13 170.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.52 -47.77 45.8 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.802 0.441 . . . . 54.55 111.06 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.409 ' HG2' ' OG1' ' A' ' 88' ' ' THR . 14.7 mm100 -60.41 -51.84 67.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.04 0.536 . . . . 75.13 111.571 -176.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.38 -23.14 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 N-CA-C 112.142 0.423 . . . . 72.53 112.142 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.36 -32.15 29.41 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.691 0.796 . . . . 74.55 112.762 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.7 m -95.54 -26.29 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 112.618 0.599 . . . . 75.24 112.618 -177.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 61.3 mtm -77.73 134.15 38.15 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.112 0.565 . . . . 75.21 111.495 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.4 p -76.38 165.56 24.66 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.139 0.575 . . . . 75.11 110.455 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.424 ' HA ' ' HB2' ' A' ' 100' ' ' MET . 32.4 p -56.37 -23.27 36.59 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 124.338 1.055 . . . . 71.54 113.652 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -71.31 -43.58 66.82 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.465 0.706 . . . . 75.44 111.172 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -71.08 -35.4 71.86 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 123.952 0.901 . . . . 72.11 111.428 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.424 ' HB2' ' HA ' ' A' ' 97' ' ' SER . 69.7 mtp . . . . . 0 CA--C 1.558 1.282 0 C-N-CA 124.252 1.021 . . . . 75.31 111.037 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 112.175 0.435 . . . . 72.52 112.175 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.91 -59.46 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.776 0.83 . . . . 71.41 112.415 -170.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -61.62 -30.47 70.71 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.666 0.786 . . . . 62.41 111.629 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -63.42 -49.42 73.81 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.87 0.468 . . . . 74.52 110.878 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -71.8 -33.32 68.45 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.027 -0.533 . . . . 45.31 111.766 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -61.04 -47.36 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.032 0.533 . . . . 65.34 110.655 174.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.423 HH21 ' HG3' ' A' ' 38' ' ' GLU . 3.8 tmt_? -55.01 -45.68 75.14 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.219 1.008 . . . . 75.04 110.87 173.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -59.37 -48.92 79.81 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.638 0.775 . . . . 75.24 112.696 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.2 mtm -74.3 -33.93 63.36 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.633 0.773 . . . . 71.43 112.825 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.3 -41.59 76.58 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.755 0.422 . . . . 34.42 110.821 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -64.34 -36.8 85.3 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.086 0.554 . . . . 75.33 110.848 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.492 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -64.83 -34.82 79.27 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.713 0.805 . . . . 60.42 111.648 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -65.06 -37.4 87.45 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.532 0.733 . . . . 64.21 111.526 174.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 70' ' ' LEU . 89.1 mt -76.99 -7.57 55.85 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.817 0.847 . . . . 53.41 113.073 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.492 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 3.7 pt20 -125.08 10.35 8.14 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.653 0.781 . . . . 75.21 111.932 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.7 t -58.1 -28.19 64.38 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.173 0.805 . . . . 75.42 113.173 -168.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -154.16 54.4 0.7 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.612 0.765 . . . . 71.24 109.244 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.9 m170 61.34 34.34 18.47 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.285 1.034 . . . . 70.31 113.327 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.52 -52.54 64.07 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.811 0.844 . . . . 73.11 111.539 -175.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -71.53 -26.24 62.57 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 116.027 -0.533 . . . . 75.11 112.135 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.28 -34.02 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.895 0.878 . . . . 62.22 111.385 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.8 72.79 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.783 0.833 . . . . 72.24 112.051 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.54 HD11 ' HD2' ' A' ' 80' ' ' ARG . 54.7 mt -98.94 -16.39 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.508 0 C-N-CA 124.06 0.944 . . . . 74.25 111.272 -178.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.88 14.34 82.26 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 122.85 0.262 . . . . 72.2 113.359 -174.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.427 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -77.18 138.22 39.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.261 1.024 . . . . 42.42 112.372 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.573 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 14.5 m-20 -78.73 93.5 4.94 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.889 0.476 . . . . 72.32 110.788 177.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.2 p -62.85 -22.46 66.7 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.628 0.771 . . . . 72.5 112.95 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.423 ' HG3' HH21 ' A' ' 17' ' ' ARG . 41.3 tt0 -59.24 -52.77 64.25 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.022 0.929 . . . . 72.04 112.565 178.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.573 ' HE ' ' HB2' ' A' ' 36' ' ' ASP . 16.7 ptt180 -74.88 -35.82 62.28 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.611 0.364 . . . . 65.03 111.508 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.427 HD11 ' HB1' ' A' ' 35' ' ' ALA . 94.9 mt -59.98 -46.17 90.31 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.066 0.547 . . . . 72.31 111.574 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.7 t -56.95 -46.99 81.74 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.203 1.001 . . . . 71.31 111.837 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.12 73.47 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.815 0.846 . . . . 72.43 112.303 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -77.15 -37.94 52.85 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.373 0.669 . . . . 75.45 112.757 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 40' ' ' LEU . 72.7 mt -61.83 -43.78 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-O 121.901 0.858 . . . . 74.11 109.377 172.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.38 -48.21 82.3 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 113.459 -1.7 . . . . 74.44 112.198 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.34 -33.54 76.07 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 112.078 0.399 . . . . 70.32 112.078 -174.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.3 m -69.07 -49.68 55.2 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.904 0.482 . . . . 73.55 111.182 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.479 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 15.6 tt -72.21 -24.34 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.483 0 C-N-CA 123.26 0.624 . . . . 75.21 111.673 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -62.19 -25.53 67.83 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.615 1.166 . . . . 60.34 112.82 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -55.03 -60.87 2.78 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.497 0.719 . . . . 75.0 112.239 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.37 -53.66 4.45 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.426 0.631 . . . . 74.11 111.688 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.443 HG13 ' HG3' ' A' ' 58' ' ' LYS . 47.7 t -85.24 -14.2 11.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 C-N-CA 124.254 1.022 . . . . 74.41 113.077 -169.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.99 31.8 1.3 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 115.587 0.995 . . . . 72.23 115.587 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -95.48 13.36 26.26 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 125.871 1.669 . . . . 72.43 112.278 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.2 p 56.32 19.34 3.9 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 125.584 1.554 . . . . 63.32 114.089 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.486 ' HB3' ' HG2' ' A' ' 58' ' ' LYS . 37.1 t70 -75.57 172.21 12.96 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.517 0.727 . . . . 73.34 110.974 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 82.2 mtp -56.17 -28.4 57.94 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.133 0.573 . . . . 73.51 112.277 172.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.486 ' HG2' ' HB3' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -62.31 -39.2 92.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.967 0.507 . . . . 71.15 110.687 173.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.431 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 84.0 t80 -70.24 -48.83 55.22 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.09 0.956 . . . . 75.04 111.019 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -60.61 -37.73 82.38 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.779 0.831 . . . . 65.33 111.502 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -69.08 -47.15 65.99 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.702 0.801 . . . . 74.12 110.545 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -61.04 -40.05 92.14 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.28 0.632 . . . . 75.4 111.924 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 67' ' ' ILE . 78.2 t -66.78 -56.34 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 122.937 0.495 . . . . 73.15 110.842 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.428 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.4 ptm180 -60.28 -36.91 78.93 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 122.995 0.518 . . . . 71.21 112.37 -177.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.6 m -70.12 -41.56 73.8 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.174 0.59 . . . . 74.11 110.377 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -42.61 98.82 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.16 0.584 . . . . 63.52 111.204 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.573 HG23 ' HB2' ' A' ' 23' ' ' ALA . 81.4 mt -55.83 -47.77 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 124.261 1.024 . . . . 73.52 110.83 176.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -61.69 -36.39 80.74 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.623 0.769 . . . . 74.5 112.069 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.423 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 12.9 m120 -74.12 -32.45 63.19 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.494 0.718 . . . . 61.51 111.727 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 97.6 mt -74.34 -9.74 58.9 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.905 0.882 . . . . 75.55 111.804 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -124.4 14.55 8.91 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.61 0.764 . . . . 74.54 112.524 172.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 30.7 t0 -65.77 143.04 57.75 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 113.282 0.845 . . . . 61.05 113.282 -170.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.09 -30.98 20.71 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.356 1.062 . . . . 72.24 111.63 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -74.23 -31.72 62.7 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.427 0.691 . . . . 73.22 110.728 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.579 ' HB3' ' HB2' ' A' ' 78' ' ' LEU . 13.1 m120 -121.92 78.57 40.98 Favored Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 124.596 1.158 . . . . 62.52 110.594 173.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.29 -28.86 12.0 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.321 2.014 . . . . 61.14 111.045 171.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.91 -23.72 62.33 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.394 1.077 . . . . 63.25 111.59 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 75' ' ' ASN . 33.2 tp -63.1 -58.01 8.69 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.771 0.428 . . . . 70.24 110.471 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -64.71 -41.95 95.62 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.714 0.805 . . . . 62.11 111.564 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.54 ' HD2' HD11 ' A' ' 33' ' ' ILE . 28.5 tpt180 -54.93 -49.91 70.13 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.645 0.778 . . . . 75.12 111.728 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -75.74 -32.52 60.03 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 112.557 0.577 . . . . 71.52 112.557 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 78' ' ' LEU . 75.4 t -62.47 -49.09 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 CA-C-N 118.583 0.629 . . . . 73.42 110.483 174.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.401 HD21 HD22 ' A' ' 24' ' ' LEU . 55.3 mt -68.46 -31.04 70.05 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 123.786 0.834 . . . . 74.31 111.9 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.0 t -82.01 -12.3 58.38 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.01 0.524 . . . . 75.51 112.146 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.26 6.27 84.44 Favored Glycine 0 CA--C 1.54 1.626 0 N-CA-C 114.449 0.539 . . . . 71.24 114.449 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.03 -47.84 41.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.498 0.719 . . . . 73.14 111.408 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.8 mt -88.03 123.35 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 109.037 -0.727 . . . . 51.41 109.037 168.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.6 p -75.38 149.84 84.51 Favored Pre-proline 0 CA--C 1.557 1.249 0 C-N-CA 123.061 0.544 . . . . 73.02 111.782 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -45.76 -36.34 14.69 Favored 'Trans proline' 0 C--N 1.381 2.259 0 C-N-CA 124.106 3.204 . . . . 62.45 115.588 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -29.51 60.89 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.5 0.556 . . . . 64.05 112.5 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.47 -60.24 2.73 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.664 0.386 . . . . 63.04 110.887 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.55 -26.81 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 123.132 0.573 . . . . 71.45 111.949 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.479 ' HB1' ' HB ' ' A' ' 48' ' ' ILE . . . -65.69 -43.72 88.38 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 123.018 0.527 . . . . 55.44 112.411 174.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.4 m -94.84 -18.62 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 N-CA-C 113.505 0.928 . . . . 73.54 113.505 -173.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 79.3 mtp -70.05 126.9 31.03 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 112.32 0.489 . . . . 65.14 112.32 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.0 p -92.15 177.2 6.23 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.071 0.948 . . . . 54.02 110.946 175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.8 p -61.36 -30.74 70.72 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.456 0.702 . . . . 71.34 111.251 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -61.8 -45.89 91.91 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.214 1.006 . . . . 54.25 111.035 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -70.2 -34.9 73.5 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.385 0.674 . . . . 64.25 111.999 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 61.5 mtp . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 123.933 0.893 . . . . 74.34 111.95 175.861 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.111 0 N-CA-C 114.892 1.442 . . . . 62.4 114.892 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -68.3 -51.93 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 CA-C-N 118.173 0.442 . . . . 71.14 111.672 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -65.99 -27.44 68.14 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.966 0.906 . . . . 74.0 112.283 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -77.02 -56.63 4.42 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 122.529 0.332 . . . . 74.1 110.668 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -59.54 -38.91 82.27 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.296 1.038 . . . . 72.41 113.21 -173.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.509 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.1 t -64.49 -52.72 56.44 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 122.649 0.379 . . . . 73.23 111.913 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -27.95 69.19 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 118.728 0.695 . . . . 60.43 112.532 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.0 -39.57 83.18 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.833 0.679 . . . . 71.21 112.833 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.1 ptp -75.04 -27.7 60.13 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.261 0.225 . . . . 71.14 110.951 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 81.3 mt -69.39 -35.09 75.45 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.921 0.488 . . . . 74.4 111.228 170.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 50.4 m -63.95 -44.29 93.26 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.037 0.535 . . . . 74.43 109.87 172.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.16 73.13 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.973 0.909 . . . . 72.12 111.871 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.27 -30.29 68.37 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.263 0.625 . . . . 65.12 111.735 173.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -86.48 -3.68 59.05 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.549 0.74 . . . . 74.41 112.544 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 21' ' ' THR . 16.0 mm100 -80.45 -9.73 59.75 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.438 0.695 . . . . 73.02 111.875 171.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 70' ' ' LEU . 15.2 t -59.01 -31.46 68.83 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.869 0.868 . . . . 71.12 112.084 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -118.06 135.63 54.06 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.451 1.1 . . . . 71.33 110.307 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -79.91 2.2 24.32 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.254 0.622 . . . . 72.44 112.062 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -57.25 -31.13 65.24 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.794 0.838 . . . . 71.44 113.018 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.588 ' HB3' HD22 ' A' ' 83' ' ' LEU . 51.0 p-80 -62.4 -33.15 74.21 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 118.336 0.516 . . . . 73.02 111.815 176.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.9 t -74.81 -52.69 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.086 0.555 . . . . 50.04 110.647 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.45 90.92 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.156 0.982 . . . . 63.33 113.061 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.524 HG21 ' HA ' ' A' ' 84' ' ' CYS . 81.9 mt -73.9 -29.91 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.955 0.902 . . . . 75.21 110.777 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.53 31.86 12.63 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-N 116.386 -0.37 . . . . 52.33 113.171 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.22 110.81 22.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.785 0.834 . . . . 61.21 109.773 174.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 5.4 m-20 -70.28 109.78 4.89 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.246 0.546 . . . . 75.13 110.563 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.0 p -68.07 -5.82 19.58 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.15 1.167 . . . . 35.3 114.15 -172.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.38 -36.74 77.09 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 123.133 0.573 . . . . 72.4 112.264 172.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 11.5 ptp180 -73.75 -34.2 64.64 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 122.691 0.396 . . . . 73.33 110.302 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 44' ' ' ILE . 88.9 mt -65.42 -51.38 60.69 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.322 0.649 . . . . 71.42 110.535 177.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -62.45 -35.73 80.2 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.143 0.977 . . . . 62.0 112.585 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.23 67.94 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.632 0.773 . . . . 53.12 112.556 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -77.41 -30.41 53.5 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 122.445 0.298 . . . . 72.33 111.617 172.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.471 HG23 ' HB2' ' A' ' 93' ' ' ALA . 73.9 mt -63.42 -38.1 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 CA-C-O 121.316 0.579 . . . . 64.35 109.516 168.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -61.0 -41.38 96.42 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.104 1.362 . . . . 54.21 113.128 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -31.76 58.61 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 116.425 -0.352 . . . . 75.43 111.232 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.457 ' HA ' ' NH2' ' A' ' 50' ' ' ARG . 74.3 m -66.95 -49.2 66.2 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.407 0.683 . . . . 75.31 112.324 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.3 tt -66.58 -33.07 61.03 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.342 0 C-N-CA 123.026 0.531 . . . . 72.44 111.779 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -66.43 -25.71 66.88 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.508 0.929 . . . . 61.31 113.508 -174.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.457 ' NH2' ' HA ' ' A' ' 47' ' ' CYS . 74.8 mtm-85 -67.36 -49.95 61.86 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 121.749 -0.595 . . . . 74.03 112.433 -177.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.13 -41.9 12.0 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.123 0.569 . . . . 71.32 112.509 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 59' ' ' TYR . 22.0 t -93.51 -11.11 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 123.967 0.907 . . . . 60.22 112.367 -171.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.65 28.74 0.49 Allowed Glycine 0 CA--C 1.54 1.631 0 N-CA-C 117.024 1.57 . . . . 72.43 117.024 -173.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -64.98 -21.86 66.91 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 117.925 0.862 . . . . 72.01 110.733 161.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t 50.1 29.88 3.85 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 126.989 2.116 . . . . 72.11 114.197 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -94.22 -82.72 0.35 Allowed 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 115.799 -0.637 . . . . 71.02 110.683 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.1 ttp -119.22 -44.03 2.6 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.387 1.075 . . . . 64.2 110.214 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HG2' HG13 ' A' ' 52' ' ' VAL . 45.0 tttp -52.58 -46.9 67.09 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.285 1.434 . . . . 65.11 112.274 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.476 ' O ' HG23 ' A' ' 63' ' ' VAL . 37.2 t80 -58.52 -51.09 71.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.255 1.022 . . . . 75.5 111.967 -177.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -55.23 -50.96 68.1 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.552 0.741 . . . . 73.31 112.131 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -73.06 -34.32 66.2 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.344 0.657 . . . . 74.53 112.356 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -68.41 -36.02 78.49 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.515 0.726 . . . . 64.51 111.197 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 59' ' ' TYR . 95.1 t -65.15 -44.64 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 CA-C-N 115.868 -0.605 . . . . 72.04 110.817 172.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -64.02 -33.36 75.57 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 122.78 0.432 . . . . 74.44 111.882 176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.9 t -65.24 -40.91 94.66 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.556 0.742 . . . . 65.31 110.576 174.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HE ' ' HG ' ' A' ' 70' ' ' LEU . 6.7 tpm_? -61.9 -46.78 87.87 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.399 0.68 . . . . 65.32 111.115 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.0 -50.79 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.919 0.888 . . . . 64.23 111.925 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.3 p -66.48 -42.68 87.1 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.392 0.677 . . . . 74.2 111.832 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -63.88 -22.53 66.96 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.557 0.743 . . . . 74.33 112.728 172.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.503 ' O ' HG21 ' A' ' 26' ' ' THR . 76.8 mt -83.46 -23.48 32.22 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 112.271 0.471 . . . . 73.53 112.271 170.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -106.21 6.56 30.91 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 113.636 0.976 . . . . 73.23 113.636 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.71 121.62 24.96 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 118.039 0.381 . . . . 72.01 111.675 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.09 -9.86 58.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 114.534 1.309 . . . . 74.04 114.534 -172.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -84.31 -21.74 30.89 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.585 0.587 . . . . 74.21 112.585 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -130.48 88.95 45.6 Favored Pre-proline 0 N--CA 1.493 1.702 0 C-N-CA 123.225 0.61 . . . . 74.11 109.555 172.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -81.04 -24.06 4.95 Favored 'Trans proline' 0 C--N 1.374 1.879 0 C-N-CA 122.677 2.251 . . . . 75.35 114.309 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.26 -33.98 75.66 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.886 1.275 . . . . 71.11 112.044 -174.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.2 tp -51.26 -53.92 30.84 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.168 1.387 . . . . 53.33 113.662 -172.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.684 ' HD2' ' H ' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -74.7 -36.2 62.74 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 115.884 -0.598 . . . . 72.22 111.359 -168.128 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -61.72 -36.93 82.38 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.259 0.35 . . . . 73.2 111.223 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.589 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 65.1 m-80 -64.53 -35.58 81.42 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.522 0.564 . . . . 73.13 112.522 172.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.2 t -68.76 -39.92 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 CA-C-O 121.315 0.579 . . . . 62.54 110.724 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 30' ' ' HIS . 85.3 mt -79.66 -15.25 57.93 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.92 0.888 . . . . 63.15 112.21 -177.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.589 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 17.4 p -96.78 -13.67 22.47 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.061 0.544 . . . . 63.45 111.324 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.6 8.55 63.83 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 114.341 0.496 . . . . 71.24 114.341 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.09 -52.42 23.95 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.317 0.647 . . . . 72.35 110.794 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 73.7 mt -91.15 122.85 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 108.696 -0.853 . . . . 71.21 108.696 167.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 p -75.53 155.8 85.37 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 122.753 0.421 . . . . 74.04 110.891 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -54.66 -28.07 54.53 Favored 'Trans proline' 0 C--N 1.374 1.921 0 C-N-CA 122.918 2.412 . . . . 74.02 113.886 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -43.7 53.69 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.501 0.72 . . . . 73.53 110.798 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -66.44 -45.75 78.77 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.149 0.579 . . . . 71.14 112.205 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.4 tp -60.09 -35.76 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-O 120.644 0.259 . . . . 70.3 111.278 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.471 ' HB2' HG23 ' A' ' 44' ' ' ILE . . . -66.74 -39.53 87.99 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.511 0.725 . . . . 62.32 112.621 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.2 m -92.51 -19.39 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 113.959 1.096 . . . . 64.32 113.959 -172.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 95' ' ' MET . 61.7 mtm -69.19 138.46 54.09 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 118.382 0.537 . . . . 71.32 111.192 177.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.7 p -74.5 166.97 22.63 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.168 0.587 . . . . 61.32 111.911 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 92.9 p -59.93 -31.46 69.87 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.101 0.561 . . . . 63.24 111.78 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.19 -40.5 97.67 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.713 0.805 . . . . 73.2 112.169 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.67 -47.96 57.25 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.706 0.765 . . . . 71.4 110.871 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.433 ' SD ' ' NH1' ' A' ' 66' ' ' ARG . 66.9 mtm . . . . . 0 N--CA 1.481 1.124 0 CA-C-N 114.738 -1.119 . . . . 62.02 113.41 -172.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.206 0 N-CA-C 114.345 1.239 . . . . 62.2 114.345 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.8 t -71.86 -63.4 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 CA-C-N 118.829 0.74 . . . . 63.3 111.435 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -34.97 75.16 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.272 0.629 . . . . 73.01 111.949 -170.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -64.9 -49.06 71.92 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 110.187 -0.301 . . . . 52.42 110.187 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -60.92 -41.53 96.36 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.271 0.628 . . . . 75.15 112.179 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -56.9 -46.07 82.17 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.961 0.504 . . . . 62.03 111.258 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -65.79 -42.09 91.16 Favored 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 123.89 0.876 . . . . 73.23 110.862 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.75 -39.01 93.23 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 124.278 1.031 . . . . 64.55 112.472 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.2 mtm -74.39 -37.34 63.44 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.564 0.746 . . . . 71.35 111.488 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.14 -36.47 79.73 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.568 0.347 . . . . 73.33 110.819 172.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.573 HG23 ' SG ' ' A' ' 37' ' ' CYS . 66.5 m -64.96 -42.89 94.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.319 0.648 . . . . 65.53 111.011 174.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.96 -32.77 74.66 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.608 0.763 . . . . 65.32 111.538 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -70.01 -28.26 65.35 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.737 0.815 . . . . 71.34 111.671 172.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD22 ' HE1' ' A' ' 30' ' ' HIS . 95.0 mt -86.7 -16.07 37.61 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.375 0.67 . . . . 70.15 112.388 173.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -104.24 -2.0 26.3 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 123.811 0.845 . . . . 74.41 112.715 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -58.87 -33.09 70.08 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.151 0.5 . . . . 73.43 111.599 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -89.03 -29.36 19.52 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.021 0.928 . . . . 73.23 112.273 176.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 m80 62.84 5.9 1.96 Allowed 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 124.923 1.289 . . . . 64.34 113.001 -171.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.41 -24.65 60.31 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.918 0.887 . . . . 72.34 110.706 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' HD2' ' HB3' ' A' ' 35' ' ' ALA . 2.2 m80 -55.52 -41.02 72.54 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.887 0.875 . . . . 74.42 111.748 170.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.4 t -68.42 -37.64 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 123.232 0.613 . . . . 65.32 110.972 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.65 85.81 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.802 0.841 . . . . 70.45 112.244 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.0 mt -78.31 -26.5 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.631 0.773 . . . . 74.33 110.992 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.89 0.74 68.32 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-N 116.43 -0.35 . . . . 45.04 113.079 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB3' ' HD2' ' A' ' 30' ' ' HIS . . . -78.14 110.64 13.29 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.551 0.74 . . . . 55.1 110.479 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.05 129.19 37.52 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.562 0.345 . . . . 53.42 110.865 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.573 ' SG ' HG23 ' A' ' 21' ' ' THR . 7.7 p -73.82 -31.67 63.34 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.382 1.253 . . . . 74.42 114.382 -172.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.35 -41.35 73.27 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 123.051 0.541 . . . . 71.55 112.366 -172.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -65.06 -33.3 75.72 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.287 0.635 . . . . 72.23 111.205 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 44' ' ' ILE . 73.1 mt -67.0 -55.39 14.66 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.12 0.568 . . . . 72.35 110.611 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -60.03 -32.46 70.92 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.922 0.889 . . . . 75.4 112.429 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.77 -41.9 86.99 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.5 0.72 . . . . 73.5 112.239 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -71.64 -33.55 69.02 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.955 0.502 . . . . 61.32 111.612 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 40' ' ' LEU . 79.6 mt -61.92 -45.54 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.438 0.695 . . . . 73.31 109.873 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -69.71 -34.36 73.79 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.422 -0.808 . . . . 71.42 111.586 -177.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -34.58 72.66 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 113.965 1.098 . . . . 72.35 113.965 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.0 m -76.61 -49.24 16.77 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.004 0.372 . . . . 71.21 112.004 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.582 HG21 HH12 ' A' ' 66' ' ' ARG . 3.7 tt -70.3 -34.54 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 123.631 0.772 . . . . 62.24 112.411 -177.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.98 -25.3 60.84 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.734 1.214 . . . . 71.32 113.233 -172.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -67.31 -50.45 60.14 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.594 0.758 . . . . 75.43 111.419 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -90.23 -47.39 7.81 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.865 0.866 . . . . 55.2 112.741 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.452 ' HB ' HG12 ' A' ' 48' ' ' ILE . 56.6 t -102.26 -18.19 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 124.381 1.073 . . . . 60.42 112.659 -170.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.45 30.39 1.01 Allowed Glycine 0 CA--C 1.547 2.09 0 N-CA-C 115.828 1.091 . . . . 73.41 115.828 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -82.89 6.2 19.27 Favored 'General case' 0 CA--C 1.565 1.529 0 C-N-CA 125.732 1.613 . . . . 70.25 112.508 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.1 p 61.73 21.85 12.51 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 125.615 1.566 . . . . 74.0 113.411 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.82 170.64 16.24 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.236 1.015 . . . . 72.31 111.07 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.0 ttm -51.96 -34.91 44.22 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.757 1.223 . . . . 70.35 112.194 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -54.08 -51.2 64.88 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.21 1.004 . . . . 60.24 111.659 171.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -66.64 -37.82 85.6 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.481 1.112 . . . . 75.22 112.177 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -64.11 -44.98 90.62 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.122 0.569 . . . . 75.21 110.944 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -68.24 -39.08 82.38 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-N 115.596 -0.729 . . . . 71.11 111.504 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -67.68 -42.8 81.52 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.734 0.814 . . . . 74.32 112.682 -176.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.3 t -67.76 -47.19 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 122.829 0.452 . . . . 53.24 111.255 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.549 ' HA ' HD12 ' A' ' 67' ' ' ILE . 39.6 ptt180 -64.88 -28.91 69.86 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 112.121 0.415 . . . . 63.22 112.121 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -59.12 -41.54 88.46 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.354 0.662 . . . . 75.43 111.564 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.582 HH12 HG21 ' A' ' 48' ' ' ILE . 99.3 mtt180 -64.54 -54.05 38.36 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.976 0.511 . . . . 74.51 111.083 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 64' ' ' ARG . 60.3 mt -51.9 -43.98 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 124.499 1.12 . . . . 71.5 111.508 -176.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.5 t -58.07 -51.83 68.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.475 1.11 . . . . 61.41 111.94 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 100' ' ' MET . 61.6 t30 -72.37 -28.08 62.79 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.132 0.973 . . . . 71.14 112.34 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 90.4 mt -82.9 -4.84 58.64 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.008 0.923 . . . . 71.01 112.337 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.432 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.5 ptpt -121.17 5.37 10.31 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.216 0.606 . . . . 72.14 111.011 169.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.99 131.06 37.22 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.263 0.625 . . . . 45.3 112.068 -171.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.92 62.85 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.039 0.936 . . . . 74.11 112.854 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.2 -24.32 37.53 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.59 0.756 . . . . 73.51 110.9 -175.556 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -122.66 81.02 48.12 Favored Pre-proline 0 CA--C 1.562 1.441 0 C-N-CA 122.965 0.506 . . . . 64.24 110.373 169.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -83.64 -20.94 4.43 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.731 2.288 . . . . 64.34 112.694 170.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.98 -50.17 73.49 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.48 1.112 . . . . 63.1 112.544 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.545 HD21 HD13 ' A' ' 92' ' ' ILE . 68.0 tp -55.43 -55.19 34.63 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.555 0.742 . . . . 73.1 112.256 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -71.81 -30.27 65.33 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.571 0.748 . . . . 73.11 112.607 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 83' ' ' LEU . 2.7 tmt_? -69.94 -36.23 75.14 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.924 0.89 . . . . 72.02 109.901 178.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.447 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 91.8 m-20 -67.17 -41.73 85.44 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.713 -0.676 . . . . 73.52 111.121 172.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.89 -30.08 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.615 0 C-N-CA 122.842 0.457 . . . . 70.02 111.347 175.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 80' ' ' ARG . 45.5 mt -61.64 -53.96 49.18 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.77 0.828 . . . . 32.01 110.864 174.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 26.3 p -81.37 -10.76 59.47 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.831 0.853 . . . . 60.44 112.692 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.86 64.43 1.87 Allowed Glycine 0 CA--C 1.537 1.451 0 C-N-CA 122.799 0.238 . . . . 70.22 113.225 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.49 -54.21 2.47 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.188 0.995 . . . . 64.15 109.929 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 81' ' ' ASN . 1.7 mp -80.64 127.25 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 N-CA-C 109.033 -0.729 . . . . 71.34 109.033 170.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.2 p -76.92 148.52 79.0 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 115.885 -0.598 . . . . 61.31 110.63 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.91 -21.9 60.1 Favored 'Trans proline' 0 C--N 1.372 1.779 0 C-N-CA 122.502 2.135 . . . . 60.32 114.243 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -71.86 -34.12 68.96 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 117.735 0.243 . . . . 72.22 111.445 174.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -61.78 -59.38 5.24 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.984 0.514 . . . . 74.42 111.213 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.545 HD13 HD21 ' A' ' 78' ' ' LEU . 7.1 tp -60.92 -20.94 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 CA-C-O 121.296 0.569 . . . . 62.14 112.046 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.504 ' HA ' ' NH2' ' A' ' 66' ' ' ARG . . . -73.1 -46.96 48.31 Favored 'General case' 0 CA--C 1.557 1.229 0 N-CA-C 112.477 0.547 . . . . 75.51 112.477 173.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.8 m -88.26 -24.52 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 N-CA-C 113.254 0.835 . . . . 73.23 113.254 -172.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 67.0 mtm -70.45 128.82 37.47 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.282 0.475 . . . . 71.13 112.282 -175.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.1 p -63.83 167.35 6.14 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.979 0.912 . . . . 74.54 111.046 177.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.7 t -61.86 -29.04 69.92 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 112.023 0.379 . . . . 64.25 112.023 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.45 -36.61 81.51 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.525 0.73 . . . . 61.05 110.812 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -77.76 -34.56 52.38 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.482 0.713 . . . . 71.5 111.404 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.454 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 67.1 mtp . . . . . 0 CA--C 1.557 1.23 0 C-N-CA 123.799 0.84 . . . . 71.41 111.394 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.948 0 N-CA-C 111.796 0.295 . . . . 61.0 111.796 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.06 -55.55 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 123.33 0.652 . . . . 73.22 111.218 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -62.74 -42.92 99.9 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.435 0.694 . . . . 75.31 111.184 -177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.75 -42.86 94.85 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.023 0.529 . . . . 74.2 111.134 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -62.6 -46.31 88.87 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.241 0.616 . . . . 71.33 111.319 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -57.86 -46.34 84.95 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.002 0.921 . . . . 73.44 111.625 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -57.61 -45.96 84.67 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.809 1.244 . . . . 64.32 111.442 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -77.28 -25.7 51.67 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.493 0.923 . . . . 72.33 113.493 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.1 mtm -75.04 -31.57 61.34 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.818 0.447 . . . . 64.02 111.263 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 45' ' ' GLU . 62.2 mt -70.17 -34.01 72.47 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.342 0.257 . . . . 72.33 110.682 170.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.7 m -61.24 -47.1 87.59 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.838 0.455 . . . . 62.41 110.332 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -59.99 -35.68 75.54 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.096 0.959 . . . . 33.23 111.817 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.67 95.25 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.663 0.785 . . . . 65.23 111.634 172.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.588 HD21 HD22 ' A' ' 70' ' ' LEU . 98.2 mt -78.04 -6.96 56.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 113.552 0.945 . . . . 71.12 113.552 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 4.6 pt20 -125.21 13.17 8.3 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.135 0.574 . . . . 73.02 112.047 177.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -57.42 -35.66 70.34 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.766 0.654 . . . . 74.41 112.766 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -118.58 24.25 11.01 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.807 0.843 . . . . 72.5 110.745 174.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.8 m80 53.83 38.32 28.37 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.713 0.805 . . . . 71.13 110.501 -166.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -57.04 -43.19 81.7 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.672 1.189 . . . . 64.54 113.042 -164.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -64.8 -30.22 71.22 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.211 0.819 . . . . 73.22 113.211 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.8 -36.49 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 C-N-CA 123.527 0.731 . . . . 62.43 111.463 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.33 70.22 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.251 0.62 . . . . 53.43 111.931 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -90.47 -29.39 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 C-N-CA 124.028 0.931 . . . . 71.14 111.852 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.81 10.12 57.97 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 122.391 -0.193 . . . . 71.54 113.376 -173.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.1 159.26 26.16 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.992 0.917 . . . . 64.12 112.393 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.472 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 8.3 m-20 -107.37 96.25 6.28 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.826 0.85 . . . . 73.44 109.772 175.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.7 p -68.45 -33.4 74.11 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 114.079 1.14 . . . . 53.44 114.079 -166.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -37.64 87.92 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 112.963 0.727 . . . . 74.21 112.963 -175.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 14.8 ptp180 -82.85 -29.99 28.98 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.608 0.363 . . . . 64.24 111.244 177.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 75.0 mt -66.27 -43.67 85.78 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.537 0.335 . . . . 74.22 111.202 176.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.411 ' HB3' HD12 ' A' ' 24' ' ' LEU . 93.1 p -65.62 -35.9 82.15 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.978 0.911 . . . . 73.31 111.491 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.71 91.25 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.471 0.709 . . . . 64.35 111.519 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 59.5 mt-30 -67.5 -40.06 85.19 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.334 0.653 . . . . 71.23 111.365 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 40' ' ' LEU . 74.7 mt -61.13 -53.88 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-O 121.314 0.578 . . . . 64.24 110.733 177.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.639 ' HB3' HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -69.97 -32.44 70.67 Favored 'General case' 0 C--O 1.209 -1.066 0 CA-C-N 115.459 -0.791 . . . . 74.5 112.553 -173.474 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -73.62 -32.87 64.28 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 118.97 0.804 . . . . 63.02 112.009 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.5 m -59.91 -49.69 76.7 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.1 0.56 . . . . 71.33 111.11 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.9 tt -76.42 -25.01 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.531 0 CA-C-N 115.978 -0.555 . . . . 71.42 111.392 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -72.85 -31.85 65.04 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 123.435 0.694 . . . . 74.01 111.8 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 47.0 mtm105 -72.53 -19.73 61.46 Favored 'General case' 0 CA--C 1.558 1.262 0 O-C-N 121.806 -0.559 . . . . 74.04 111.523 174.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -91.31 -41.73 10.77 Favored 'General case' 0 CA--C 1.569 1.688 0 C-N-CA 123.716 0.807 . . . . 75.53 112.541 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.565 HG13 ' HE2' ' A' ' 58' ' ' LYS . 71.6 t -113.34 -10.34 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 125.137 1.375 . . . . 74.24 112.53 -164.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.98 2.16 1.08 Allowed Glycine 0 N--CA 1.486 2.009 0 N-CA-C 117.132 1.613 . . . . 72.45 117.132 -171.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -63.64 -13.05 38.82 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.855 0.862 . . . . 72.22 111.588 167.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p 60.9 -91.46 0.03 OUTLIER 'General case' 0 C--N 1.359 1.01 0 C-N-CA 126.496 1.919 . . . . 73.42 111.895 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 t70 56.68 -74.96 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 125.047 1.339 . . . . 72.23 112.129 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.6 ttp -147.25 -41.29 0.18 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.395 1.078 . . . . 71.01 110.313 171.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HE2' HG13 ' A' ' 52' ' ' VAL . 21.4 ptmt -55.16 -40.64 70.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.523 1.129 . . . . 62.44 113.798 -170.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.423 ' O ' HG23 ' A' ' 63' ' ' VAL . 54.8 t80 -59.39 -49.07 79.24 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.257 0.466 . . . . 62.22 112.257 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.36 -44.25 96.91 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.401 0.68 . . . . 72.43 111.738 -176.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -67.69 -43.28 80.5 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.584 0.753 . . . . 73.34 111.906 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' A' ' 58' ' ' LYS . 3.7 mpt_? -64.6 -35.58 81.46 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.589 0.755 . . . . 74.31 111.714 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 59' ' ' TYR . 62.6 t -64.38 -48.97 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 122.63 0.372 . . . . 54.13 110.625 173.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -53.25 -41.41 65.45 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 123.686 0.794 . . . . 73.52 112.229 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.0 m -68.02 -42.54 80.47 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 115.785 -0.643 . . . . 71.34 111.397 175.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -33.33 72.39 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.033 0.533 . . . . 62.14 112.016 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.486 HG22 ' HD2' ' A' ' 71' ' ' LYS . 73.9 mt -60.15 -53.06 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 108.805 -0.813 . . . . 72.31 108.805 172.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 t -54.96 -36.25 65.13 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.6 1.16 . . . . 61.3 112.36 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -76.0 -33.26 59.69 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.564 0.745 . . . . 73.23 112.268 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.588 HD22 HD21 ' A' ' 24' ' ' LEU . 69.7 mt -88.04 -6.08 58.14 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 122.825 0.45 . . . . 73.2 112.023 -177.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.486 ' HD2' HG22 ' A' ' 67' ' ' ILE . 19.1 ptmt -121.48 15.09 11.19 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.765 0.826 . . . . 72.4 110.41 173.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -62.95 133.35 54.49 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.326 0.861 . . . . 64.42 113.326 -163.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.9 -36.46 49.56 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 114.5 -1.227 . . . . 53.4 110.982 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -67.91 -49.28 62.78 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 115.652 -0.704 . . . . 72.13 110.943 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -115.79 90.13 26.0 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.955 0.902 . . . . 62.31 109.746 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.72 -29.47 29.28 Favored 'Trans proline' 0 C--N 1.374 1.915 0 C-N-CA 122.35 2.033 . . . . 75.24 111.373 171.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.588 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 13.9 m-20 -70.36 -19.86 63.01 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.436 -0.802 . . . . 74.04 112.311 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 100' ' ' MET . 26.8 tp -60.22 -54.78 41.78 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.209 0.604 . . . . 63.4 111.776 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -68.3 -41.41 80.96 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.372 0.669 . . . . 72.33 111.474 172.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.588 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 52.4 ttt180 -56.81 -41.35 77.62 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.586 1.154 . . . . 72.2 112.478 -177.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -65.03 -40.64 95.15 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.308 0.643 . . . . 73.51 111.418 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.419 HG21 HG12 ' A' ' 92' ' ' ILE . 40.6 t -67.56 -42.63 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.058 0.543 . . . . 62.3 110.544 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 73.0 mt -68.87 -28.67 66.92 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 115.217 -0.901 . . . . 64.34 111.562 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.1 t -82.45 -15.87 50.98 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.432 0.693 . . . . 51.32 111.483 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.07 2.34 80.84 Favored Glycine 0 CA--C 1.538 1.484 0 CA-C-O 119.343 -0.698 . . . . 51.22 114.332 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.61 -53.15 60.9 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.95 0.9 . . . . 51.41 111.659 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -101.01 123.02 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 108.529 -0.915 . . . . 74.33 108.529 168.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.2 p -70.58 145.96 93.24 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 123.175 0.59 . . . . 71.34 111.444 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.445 ' HA ' HG22 ' A' ' 92' ' ' ILE . 62.8 Cg_exo -47.44 -34.16 18.8 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 124.008 3.139 . . . . 71.35 115.802 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.82 -46.66 77.75 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.01 0.524 . . . . 71.51 110.856 176.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -63.04 -48.28 79.38 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.877 0.871 . . . . 53.43 111.545 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.445 HG22 ' HA ' ' A' ' 89' ' ' PRO . 10.6 tp -71.0 -11.35 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 112.177 0.436 . . . . 72.24 112.177 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.24 -34.36 28.85 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.317 0.647 . . . . 75.1 112.151 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.4 m -109.16 -22.84 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 113.529 0.937 . . . . 75.03 113.529 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 38.7 ttp -70.34 131.56 44.33 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.973 0.909 . . . . 62.53 111.169 -176.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.7 p -70.61 164.08 25.65 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.08 0.552 . . . . 74.4 112.314 -173.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 87.9 p -57.45 -43.48 84.0 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.432 0.901 . . . . 52.2 113.432 -169.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -64.48 -49.42 71.45 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.708 0.403 . . . . 75.22 111.314 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -57.56 -45.48 85.1 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.044 0.538 . . . . 74.22 111.247 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.54 ' HB3' HD11 ' A' ' 78' ' ' LEU . 65.0 mtm . . . . . 0 N--CA 1.481 1.099 0 C-N-CA 123.776 0.831 . . . . 55.54 111.944 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.049 0 N-CA-C 113.403 0.89 . . . . 54.35 113.403 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.665 HG11 HG22 ' A' ' 55' ' ' THR . 58.6 t -58.54 -57.66 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 123.632 0.773 . . . . 70.41 112.172 174.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 ptm85 -68.15 -30.97 70.22 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.446 0.698 . . . . 64.4 111.991 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.439 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 38.2 t-20 -65.31 -44.08 88.98 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.037 0.535 . . . . 75.0 109.703 173.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -64.05 -36.44 84.0 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.958 0.903 . . . . 53.35 111.43 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.0 t -59.96 -53.51 56.99 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.587 0.755 . . . . 63.11 111.864 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -64.94 -31.67 73.01 Favored 'General case' 0 CA--C 1.556 1.179 0 O-C-N 123.138 0.274 . . . . 72.11 111.366 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 37.7 mm-40 -63.17 -40.94 98.98 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 122.792 0.437 . . . . 73.45 111.913 173.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 73.8 mtm -72.34 -38.0 68.7 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.172 0.589 . . . . 72.2 111.723 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.28 -41.69 85.06 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.73 0.412 . . . . 60.45 110.965 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.462 HG23 ' SG ' ' A' ' 37' ' ' CYS . 96.8 m -65.27 -31.74 73.04 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.296 0.638 . . . . 71.03 111.108 174.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.528 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -59.19 -37.65 77.92 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.247 0.619 . . . . 71.22 111.622 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.656 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -72.56 -31.05 64.95 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.618 0.767 . . . . 74.21 112.065 174.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.9 mt -82.37 -19.51 39.07 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.284 0.634 . . . . 74.34 112.205 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.528 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 16.8 pt20 -109.79 -4.18 16.23 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.489 0.715 . . . . 74.52 112.484 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 t -56.8 -33.29 66.54 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.655 0.741 . . . . 62.2 111.373 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -112.93 159.92 18.59 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.452 1.101 . . . . 54.13 108.813 163.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -82.06 44.09 0.83 Allowed 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.391 0.615 . . . . 74.42 110.41 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -72.45 -50.79 23.61 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.952 1.301 . . . . 75.42 110.617 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -60.77 -26.52 67.3 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.79 -0.641 . . . . 63.41 112.187 175.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -72.76 -41.98 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.234 0.614 . . . . 60.54 110.24 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.05 77.08 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.668 0.787 . . . . 73.32 111.893 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.9 mt -84.7 -22.53 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.402 0 C-N-CA 124.526 1.13 . . . . 74.41 111.648 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.74 50.46 9.15 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 113.696 0.238 . . . . 53.23 113.696 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.01 137.25 34.5 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.084 0.953 . . . . 43.45 110.858 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.14 103.57 8.16 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.3 0.64 . . . . 53.22 110.492 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' SG ' HG23 ' A' ' 21' ' ' THR . 16.2 p -66.84 -21.05 66.04 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.456 0.91 . . . . 75.41 113.456 -175.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -33.63 72.29 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.088 0.773 . . . . 61.12 113.088 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -84.33 -26.7 28.29 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.942 0.497 . . . . 62.3 111.749 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.4 -38.42 74.64 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.678 0.391 . . . . 62.44 111.498 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -62.56 -35.04 78.2 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.815 0.846 . . . . 54.15 111.687 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.27 -31.13 69.93 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.15 0.98 . . . . 73.24 112.201 173.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.511 ' HB3' ' HB2' ' A' ' 89' ' ' PRO . 6.3 tt0 -78.68 -24.35 45.13 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 112.755 0.65 . . . . 71.53 112.755 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.29 -44.36 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.112 -0.993 . . . . 72.32 108.632 163.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.54 -49.15 78.45 Favored 'General case' 0 CA--C 1.554 1.135 0 C-N-CA 124.73 1.212 . . . . 63.14 112.95 -175.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -50.39 -40.91 51.08 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 124.111 0.964 . . . . 70.34 112.024 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.607 ' SG ' ' HG2' ' A' ' 90' ' ' GLN . 65.8 m -77.67 -52.05 9.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.71 0.804 . . . . 64.41 112.182 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.8 tt -69.16 -25.07 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 122.725 0.41 . . . . 53.23 111.64 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.717 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 63.9 t80 -66.78 -26.03 66.76 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.69 0.796 . . . . 75.31 111.758 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -77.99 -38.13 45.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.526 0.73 . . . . 74.12 112.123 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.64 -56.84 3.13 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.881 0.697 . . . . 72.34 112.881 -176.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.516 HG12 ' HB2' ' A' ' 59' ' ' TYR . 1.3 t -115.81 -16.96 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 123.457 0.703 . . . . 75.24 112.239 -171.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.717 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -78.44 22.21 3.32 Favored Glycine 0 N--CA 1.482 1.721 0 N-CA-C 116.329 1.291 . . . . 72.52 116.329 -168.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -84.88 34.18 0.54 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.822 0.849 . . . . 65.31 111.431 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.665 HG22 HG11 ' A' ' 12' ' ' VAL . 27.7 p 53.74 33.62 17.2 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 125.312 1.445 . . . . 54.54 111.644 -169.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -67.26 164.71 17.74 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 125.319 1.448 . . . . 60.22 112.78 -173.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.8 ttm -60.95 -68.63 0.29 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.058 0.943 . . . . 64.42 111.627 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -57.68 -25.05 59.71 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 113.383 0.883 . . . . 70.35 113.383 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.516 ' HB2' HG12 ' A' ' 52' ' ' VAL . 33.3 t80 -51.44 -37.27 47.81 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.82 1.248 . . . . 74.31 113.552 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -68.23 -43.61 77.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.826 0.451 . . . . 75.33 111.807 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.423 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 5.6 m-80 -74.95 -29.68 61.0 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.168 0.587 . . . . 64.23 111.374 173.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -63.38 -42.65 98.83 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.143 0.577 . . . . 71.45 111.524 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.6 t -62.9 -55.12 25.61 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 CA-C-N 115.615 -0.72 . . . . 54.11 110.821 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.9 ptt180 -66.86 -30.17 70.27 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 112.643 0.608 . . . . 73.32 112.643 -174.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.0 m -72.63 -33.15 66.43 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 122.789 0.436 . . . . 64.41 111.625 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -72.37 -38.28 68.57 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.712 0.405 . . . . 74.5 110.587 173.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.656 HG23 ' HB2' ' A' ' 23' ' ' ALA . 95.7 mt -56.51 -42.71 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 124.119 0.967 . . . . 63.33 110.831 170.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.7 t -59.0 -39.03 80.57 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.819 0.847 . . . . 75.04 111.803 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -73.36 -28.84 62.26 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.069 0.548 . . . . 63.11 112.221 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.25 -15.4 60.99 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.4 0.68 . . . . 72.35 112.632 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -120.76 14.04 11.64 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.588 0.755 . . . . 74.41 111.536 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -82.46 149.83 27.38 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.388 0.675 . . . . 73.33 112.464 -170.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.46 -12.34 58.93 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.797 1.036 . . . . 71.21 113.797 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.69 -46.78 65.25 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 118.283 0.492 . . . . 74.12 111.223 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -156.01 89.33 2.84 Favored Pre-proline 0 CA--C 1.562 1.44 0 CA-C-N 116.385 -0.37 . . . . 62.22 111.144 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.98 -16.64 15.85 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.847 2.364 . . . . 71.41 112.014 168.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.53 -30.45 68.61 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.107 0.963 . . . . 55.21 111.413 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.47 -51.64 62.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.301 1.04 . . . . 73.31 111.578 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -56.34 -42.79 78.29 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.206 -0.907 . . . . 65.13 110.846 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -63.51 -41.49 98.52 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.386 0.674 . . . . 63.15 111.7 -178.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -61.93 -42.63 99.32 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.429 0.692 . . . . 75.21 111.796 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.2 t -66.64 -39.82 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 C-N-CA 122.952 0.501 . . . . 64.14 111.13 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.99 -33.48 74.71 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.647 0.779 . . . . 74.02 111.898 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.4 m -81.47 -14.11 57.39 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.461 0.704 . . . . 71.2 112.316 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.8 15.84 81.27 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 114.154 0.422 . . . . 60.3 114.154 -177.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.72 -58.83 5.21 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.627 0.771 . . . . 45.03 110.335 174.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.61 118.92 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 106.743 -1.577 . . . . 73.23 106.743 162.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.3 p -71.91 145.12 88.78 Favored Pre-proline 0 N--CA 1.48 1.046 0 N-CA-C 110.246 -0.279 . . . . 74.14 110.246 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.511 ' HB2' ' HB3' ' A' ' 43' ' ' GLN . 74.2 Cg_exo -53.97 -21.15 20.26 Favored 'Trans proline' 0 CA--C 1.565 2.042 0 C-N-CA 122.583 2.188 . . . . 73.52 114.283 173.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.607 ' HG2' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -67.36 -46.91 71.98 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.58 0.752 . . . . 72.11 109.628 172.547 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.67 -50.63 71.71 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.456 0.703 . . . . 75.02 111.638 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.507 HG22 ' HA ' ' A' ' 89' ' ' PRO . 8.2 tp -61.92 -30.42 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 112.571 0.582 . . . . 73.1 112.571 -170.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.29 75.4 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.584 0.754 . . . . 72.54 112.546 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.4 m -94.27 -19.18 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 123.168 0.587 . . . . 75.04 112.339 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 83.9 mtp -64.25 137.65 58.04 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.485 0.55 . . . . 71.31 112.485 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 100' ' ' MET . 17.2 m -68.09 147.76 51.88 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.182 0.993 . . . . 74.4 110.831 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.1 p -50.84 -45.22 59.54 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.081 0.952 . . . . 61.14 113.562 -175.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.08 -48.21 71.72 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 112.761 0.652 . . . . 74.13 112.761 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.16 -17.06 64.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 112.146 0.425 . . . . 75.4 112.146 -177.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 96' ' ' THR . 39.7 mtm . . . . . 0 CA--C 1.558 1.275 0 CA-C-O 121.053 0.454 . . . . 73.21 111.257 173.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.442 ' HA ' ' HB3' ' A' ' 14' ' ' ASN . . . . . . . . 0 CA--C 1.554 1.112 0 N-CA-C 112.304 0.483 . . . . 52.44 112.304 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.0 t -57.73 -62.18 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.391 0.677 . . . . 65.24 111.277 171.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -33.94 65.92 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.163 0.585 . . . . 74.53 111.382 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 3.1 t-20 -59.34 -56.35 23.24 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.447 0.299 . . . . 74.44 110.754 177.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 19' ' ' MET . 87.0 tttt -61.71 -32.72 72.95 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.129 0.572 . . . . 63.31 111.717 178.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -58.09 -48.25 80.73 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.201 0.6 . . . . 63.44 111.94 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -63.22 -43.48 97.96 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.023 0.529 . . . . 73.02 110.143 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 60.4 mm-40 -58.02 -49.25 77.53 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.117 0.567 . . . . 74.2 112.257 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 24.5 ptt? -75.93 -28.21 57.89 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 113.154 0.798 . . . . 71.52 113.154 -176.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 45' ' ' GLU . 55.4 mt -69.62 -32.79 71.7 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 122.105 -0.372 . . . . 62.34 111.431 169.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.5 m -67.2 -38.55 85.5 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 120.887 0.375 . . . . 72.24 110.288 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -61.3 -35.52 77.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.737 0.815 . . . . 61.3 111.721 176.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.56 -30.98 71.79 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.91 0.884 . . . . 71.32 112.427 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.7 mt -87.34 -30.74 20.59 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.812 0.671 . . . . 62.03 112.812 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.612 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 11.2 pt20 -94.82 -4.44 47.13 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 123.254 0.622 . . . . 74.13 112.215 -176.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -51.79 -34.31 39.27 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 123.717 0.807 . . . . 70.5 112.188 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -130.75 173.04 11.32 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.653 1.181 . . . . 65.02 109.735 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -95.08 35.91 1.25 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.272 0.629 . . . . 73.42 112.376 -171.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.57 -52.4 52.57 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.56 0.744 . . . . 51.12 109.882 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.497 ' HB3' HD22 ' A' ' 83' ' ' LEU . 13.2 p80 -63.68 -24.95 67.99 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 114.954 -1.021 . . . . 74.22 112.156 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -71.53 -48.89 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 122.767 0.427 . . . . 71.42 110.482 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.95 -34.58 74.95 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 115.565 -0.743 . . . . 55.31 111.938 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -81.19 -34.41 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 C-N-CA 123.796 0.838 . . . . 73.03 111.65 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.09 18.81 41.7 Favored Glycine 0 N--CA 1.481 1.693 0 C-N-CA 122.942 0.306 . . . . 74.52 113.098 -174.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.581 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -84.74 134.95 34.32 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.601 1.161 . . . . 63.21 112.416 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 7.0 m-20 -82.43 97.26 8.29 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.614 0.766 . . . . 70.53 109.519 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.3 p -62.2 -35.34 78.56 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.211 0.819 . . . . 52.02 113.211 -169.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.14 -51.12 70.42 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.371 0.668 . . . . 61.12 111.832 173.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 60.1 ttt180 -57.72 -45.58 85.57 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 114.633 -1.167 . . . . 73.21 111.739 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.581 HD11 ' HB1' ' A' ' 35' ' ' ALA . 58.8 mt -65.44 -46.32 80.35 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.382 0.673 . . . . 71.3 111.244 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -56.69 -38.7 72.62 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.103 0.961 . . . . 73.44 112.145 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.08 76.43 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.571 0.749 . . . . 70.42 111.892 176.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 16.2 mm-40 -77.07 -32.4 56.77 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.156 0.583 . . . . 61.41 111.002 177.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.31 -53.37 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-O 121.386 0.612 . . . . 73.03 110.923 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.489 ' HA ' HG22 ' A' ' 48' ' ' ILE . 3.1 pp20? -69.79 -31.46 69.39 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.504 -0.771 . . . . 73.22 112.992 -171.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -31.71 70.44 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 111.874 0.324 . . . . 74.42 111.874 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 90' ' ' GLN . 83.4 m -67.11 -49.54 64.59 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.169 0.588 . . . . 75.24 111.583 174.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.504 HD11 ' HG3' ' A' ' 62' ' ' ARG . 9.3 tt -71.99 -23.61 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 122.834 0.454 . . . . 74.51 111.383 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.681 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 74.5 t80 -58.91 -38.46 78.97 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.651 0.78 . . . . 74.45 111.501 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -74.13 -27.39 60.83 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.865 -0.607 . . . . 71.02 112.384 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -88.98 -56.5 3.26 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 122.753 0.421 . . . . 72.41 112.117 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -115.17 -22.28 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 C-N-CA 123.512 0.725 . . . . 74.34 112.218 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.681 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -79.06 28.01 2.27 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 117.097 1.599 . . . . 22.24 117.097 -165.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -79.31 49.68 1.0 Allowed 'General case' 0 CA--C 1.568 1.65 0 CA-C-N 117.605 0.702 . . . . 72.22 111.253 169.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p 41.26 70.92 0.23 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.784 1.633 . . . . 73.12 112.395 -173.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -117.04 163.06 16.81 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.019 0.527 . . . . 72.21 112.26 -164.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 70.2 mtp -60.39 -63.99 1.11 Allowed 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 125.16 1.384 . . . . 72.34 112.088 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -25.86 68.55 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 112.464 0.542 . . . . 74.44 112.464 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -52.96 -39.42 62.93 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.862 0.865 . . . . 71.53 112.822 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -60.89 -48.76 80.35 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.909 0.484 . . . . 71.23 111.869 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.42 -35.15 79.6 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.509 0.723 . . . . 71.22 111.508 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.504 ' HG3' HD11 ' A' ' 48' ' ' ILE . 6.4 tpm_? -69.91 -37.9 76.09 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.153 0.981 . . . . 74.11 111.486 -176.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.5 t -72.86 -45.08 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 123.434 0.693 . . . . 74.34 111.917 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.7 ptm180 -69.57 -28.09 65.68 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 112.162 0.43 . . . . 71.52 112.162 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -66.42 -29.29 69.41 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.001 0.52 . . . . 72.41 111.967 170.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -65.69 -53.64 38.32 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 110.044 -0.354 . . . . 74.23 110.044 168.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 64' ' ' ARG . 78.0 mt -53.18 -45.7 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 C-N-CA 124.759 1.224 . . . . 75.23 112.693 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.6 p -59.77 -50.97 71.74 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.084 0.954 . . . . 34.42 111.827 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.45 -27.17 62.15 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.683 0.793 . . . . 72.2 112.905 -177.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.96 -43.39 88.07 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.619 0.368 . . . . 72.52 111.149 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -91.95 2.38 56.58 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 112.602 0.593 . . . . 71.23 112.602 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -78.18 148.32 34.11 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.089 0.556 . . . . 72.11 111.669 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.09 -14.19 51.07 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 113.586 0.958 . . . . 31.32 113.586 -173.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.17 -27.27 63.42 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 117.937 0.335 . . . . 74.34 111.729 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -144.67 87.88 7.31 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 122.817 0.447 . . . . 72.11 109.823 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.38 -34.37 35.0 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.974 2.449 . . . . 41.22 111.654 171.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.584 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 5.7 m-20 -68.82 -15.53 63.53 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.146 -0.934 . . . . 74.03 113.091 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.88 -52.17 66.19 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.719 0.407 . . . . 64.3 111.472 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -69.53 -45.52 68.63 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.691 0.396 . . . . 74.2 110.854 172.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.584 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 38.8 ttp180 -63.97 -30.45 71.53 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.295 1.038 . . . . 71.11 113.237 -170.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.62 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 94.8 m-20 -74.93 -33.85 62.02 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.227 0.611 . . . . 64.24 111.2 176.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.5 -37.35 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 121.425 0.631 . . . . 71.21 110.466 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 30' ' ' HIS . 67.8 mt -70.72 -37.34 73.51 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-N 115.114 -0.948 . . . . 71.32 111.689 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 26.5 p -85.98 -7.53 58.59 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 112.129 0.418 . . . . 72.31 112.129 177.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.33 11.98 82.68 Favored Glycine 0 C--N 1.35 1.36 0 N-CA-C 114.613 0.605 . . . . 64.55 114.613 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.74 -55.0 17.03 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.196 0.598 . . . . 72.25 109.995 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 74.3 mt -89.87 129.99 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 108.165 -1.05 . . . . 62.33 108.165 163.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.1 p -78.1 145.61 69.64 Favored Pre-proline 0 N--CA 1.482 1.136 0 O-C-N 122.178 -0.326 . . . . 71.41 110.211 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -51.48 -26.13 20.94 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 123.19 2.594 . . . . 63.54 114.89 176.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.439 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 1.6 tm0? -73.15 -44.77 59.56 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.095 0.558 . . . . 63.22 111.032 175.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -57.92 -56.65 19.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.409 0.683 . . . . 72.11 111.815 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.7 tp -57.43 -30.09 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 112.634 0.605 . . . . 71.14 112.634 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.95 80.46 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.466 0.706 . . . . 63.23 112.139 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.2 m -98.54 -11.64 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.479 0 N-CA-C 113.043 0.756 . . . . 34.4 113.043 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.6 mtp -69.91 127.02 31.43 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.808 0.843 . . . . 61.41 111.218 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.3 t -75.19 177.31 6.57 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.849 0.46 . . . . 63.13 111.983 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.8 p -59.06 -36.48 75.13 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.953 0.901 . . . . 71.13 111.748 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.21 -47.9 84.0 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 122.947 0.499 . . . . 72.11 110.697 173.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -64.52 -30.97 72.0 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.782 0.833 . . . . 65.53 113.076 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 CA--C 1.56 1.327 0 N-CA-C 112.208 0.447 . . . . 72.1 112.208 175.91 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.187 0 N-CA-C 112.166 0.432 . . . . 31.01 112.166 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.86 -52.08 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.247 0.619 . . . . 75.23 111.653 173.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -63.08 -46.91 85.17 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.437 0.295 . . . . 64.43 111.681 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 47.5 t-20 -57.59 -47.99 80.63 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.511 0.724 . . . . 64.22 110.578 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.21 -40.02 92.4 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.178 0.991 . . . . 73.22 112.013 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.1 m -71.6 -31.66 67.17 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.026 0.53 . . . . 64.22 112.209 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -67.82 -37.31 81.8 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.463 0.305 . . . . 74.04 110.427 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 20.2 mm-40 -62.62 -33.54 75.22 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.152 -0.476 . . . . 72.13 111.344 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.405 ' HB2' ' HE3' ' A' ' 19' ' ' MET . 50.7 mtm -75.04 -34.94 61.92 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 123.101 0.56 . . . . 61.01 111.998 174.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.14 -41.08 95.13 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.657 0.783 . . . . 45.44 111.179 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -66.23 -42.01 89.24 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.752 0.821 . . . . 24.02 109.801 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -29.11 69.24 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.333 1.053 . . . . 65.1 112.6 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -69.1 -30.5 68.81 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.25 0.62 . . . . 64.12 111.89 173.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HB3' HD21 ' A' ' 83' ' ' LEU . 66.0 mt -86.7 -26.58 24.19 Favored 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 123.938 0.895 . . . . 64.21 112.381 178.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -111.19 29.48 7.76 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 124.667 1.187 . . . . 74.44 109.738 175.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 t -57.68 -33.66 68.59 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.923 0.889 . . . . 74.14 112.174 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -127.98 -88.99 0.54 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 107.802 -1.184 . . . . 62.14 107.802 158.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -147.68 35.58 0.86 Allowed 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.344 1.058 . . . . 73.44 109.869 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.74 -38.76 76.94 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.015 -0.993 . . . . 74.41 112.572 -170.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -70.41 -24.82 62.99 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 111.863 0.32 . . . . 71.12 111.863 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.0 t -73.81 -33.14 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 124.147 0.979 . . . . 64.12 110.604 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.05 -31.53 61.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.137 0.975 . . . . 62.54 112.849 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.515 HG21 ' HA ' ' A' ' 84' ' ' CYS . 4.5 mp -100.74 -40.5 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 123.28 0.632 . . . . 75.51 110.208 175.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.73 18.89 11.74 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-N 115.802 -0.635 . . . . 55.41 113.826 -177.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -91.31 134.97 34.14 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.378 0.671 . . . . 45.11 111.309 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.574 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 11.4 m-20 -76.56 106.98 8.52 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.179 0.592 . . . . 62.14 111.357 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 p -64.41 -23.63 67.35 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.338 1.236 . . . . 74.02 114.338 -171.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.89 -40.24 63.34 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 113.212 0.819 . . . . 61.35 113.212 -177.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.574 ' HE ' ' HB2' ' A' ' 36' ' ' ASP . 30.2 ptt180 -74.83 -28.99 60.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.932 -0.48 . . . . 75.12 110.855 175.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.441 HD11 ' HB1' ' A' ' 35' ' ' ALA . 86.2 mt -67.26 -53.39 30.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.828 0.451 . . . . 74.31 110.932 175.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.8 p -54.39 -38.19 65.89 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.123 0.969 . . . . 72.33 112.346 -176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.04 93.03 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 123.971 0.908 . . . . 61.22 112.009 175.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -70.4 -42.72 71.28 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.778 0.831 . . . . 71.31 111.989 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -59.61 -45.17 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.239 0.615 . . . . 73.41 110.154 172.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.59 -42.76 98.24 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.394 0.678 . . . . 74.32 112.08 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.59 -43.8 72.45 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.516 0.726 . . . . 65.22 112.233 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.8 m -73.84 -35.93 64.84 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.642 -0.708 . . . . 63.32 112.581 -175.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.4 tt -80.42 -26.67 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 O-C-N 122.142 -0.349 . . . . 71.33 111.083 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.89 -25.23 64.92 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 124.883 1.273 . . . . 74.43 113.025 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -51.09 -55.33 18.21 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.517 1.127 . . . . 72.02 112.316 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.94 -52.43 4.86 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.609 0.719 . . . . 72.05 111.608 172.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.442 HG12 ' HD1' ' A' ' 59' ' ' TYR . 71.2 t -70.39 -32.71 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 114.799 -1.091 . . . . 74.31 113.802 -166.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.83 30.43 1.07 Allowed Glycine 0 N--CA 1.483 1.79 0 N-CA-C 117.089 1.596 . . . . 43.23 117.089 -169.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -84.56 5.62 27.0 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.274 1.03 . . . . 74.34 112.961 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 49.4 p 67.09 -57.33 0.42 Allowed 'General case' 0 N--CA 1.507 2.401 0 C-N-CA 126.8 2.04 . . . . 74.42 113.857 -177.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.61 129.83 43.88 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 124.304 1.041 . . . . 75.31 112.912 177.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.3 tmm? 58.11 -79.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 125.903 1.681 . . . . 72.53 114.08 172.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -59.98 -38.93 84.0 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.91 0.884 . . . . 73.11 113.097 -171.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.442 ' HD1' HG12 ' A' ' 52' ' ' VAL . 34.3 t80 -70.74 -31.59 68.46 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.671 0.388 . . . . 73.22 111.672 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 9.4 mmpt? -72.69 -52.46 15.12 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 122.282 -0.261 . . . . 74.13 111.54 172.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -77.41 -51.27 11.07 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.911 0.884 . . . . 74.25 112.854 -169.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -76.8 -27.57 55.28 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 112.568 0.581 . . . . 71.05 112.568 -173.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.2 t -72.14 -48.03 51.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 118.829 -0.605 . . . . 63.25 110.93 174.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -62.45 -35.1 78.21 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-N 118.454 0.57 . . . . 71.21 111.013 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -63.78 -44.4 93.48 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.452 0.701 . . . . 70.3 111.428 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.556 ' HG3' ' SD ' ' A' ' 100' ' ' MET . 17.8 ttm-85 -67.45 -44.24 79.13 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.759 0.423 . . . . 74.12 110.958 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' ' 23' ' ' ALA . 98.3 mt -55.48 -37.42 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 124.423 1.089 . . . . 63.03 111.488 171.324 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.7 t -64.24 -45.32 88.69 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.214 0.605 . . . . 75.05 111.434 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -66.83 -28.83 68.67 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 122.899 0.48 . . . . 63.22 112.058 175.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.494 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 94.0 mt -72.36 -48.85 38.47 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 122.738 0.415 . . . . 72.4 111.361 176.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.6 ptpt -82.34 4.13 25.1 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 122.796 0.438 . . . . 74.04 112.085 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -70.34 128.58 36.69 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.574 0.75 . . . . 73.52 111.559 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.44 -24.19 60.21 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.37 0.668 . . . . 53.32 112.047 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -74.77 -33.84 62.35 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 122.515 0.326 . . . . 72.13 110.915 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -113.87 81.15 5.69 Favored Pre-proline 0 N--CA 1.49 1.559 0 C-N-CA 123.377 0.671 . . . . 75.43 111.196 172.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.36 -25.74 4.53 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.082 1.855 . . . . 74.22 111.977 167.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.79 -37.68 79.45 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.258 1.023 . . . . 54.3 111.738 -174.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 58.6 tp -53.81 -56.58 16.28 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.432 0.693 . . . . 74.41 111.985 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.494 ' HD3' ' O ' ' A' ' 70' ' ' LEU . 27.9 ptt-85 -71.79 -32.64 67.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.702 0.401 . . . . 72.3 111.33 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.468 ' HD2' HD11 ' A' ' 33' ' ' ILE . 8.6 tpt180 -58.23 -44.73 88.37 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.553 0.741 . . . . 71.42 111.127 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -65.82 -38.43 88.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.625 0.77 . . . . 72.2 111.922 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.1 t -64.27 -46.62 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-O 121.581 0.705 . . . . 73.21 110.936 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 24' ' ' LEU . 69.0 mt -72.06 -24.64 61.55 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.45 1.1 . . . . 74.13 112.098 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.515 ' HA ' HG21 ' A' ' 33' ' ' ILE . 42.9 t -87.33 -13.91 42.26 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.921 0.888 . . . . 61.42 111.55 176.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.32 -4.14 82.45 Favored Glycine 0 CA--C 1.536 1.382 0 CA-C-O 119.608 -0.551 . . . . 74.21 114.29 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.24 81.45 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.58 0.752 . . . . 72.03 111.373 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 73.9 mt -89.16 130.95 37.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 108.934 -0.765 . . . . 33.24 108.934 165.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.4 p -80.46 154.67 74.1 Favored Pre-proline 0 N--CA 1.487 1.376 0 C-N-CA 123.049 0.54 . . . . 71.11 111.238 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -47.46 -39.85 28.94 Favored 'Trans proline' 0 C--N 1.384 2.427 0 C-N-CA 123.671 2.914 . . . . 41.12 115.339 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -77.07 -39.46 49.67 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.35 0.5 . . . . 65.52 112.35 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' A' ' 95' ' ' MET . 61.3 tt0 -57.21 -51.42 69.42 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.645 0.778 . . . . 71.52 112.062 -174.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.4 tp -61.8 -37.95 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 123.348 0.659 . . . . 70.03 112.438 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.42 -39.72 62.43 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.502 0.721 . . . . 71.3 112.942 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.3 m -85.02 -8.3 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 123.67 0.788 . . . . 74.13 112.032 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 91' ' ' GLN . 39.9 ttp -72.85 150.18 42.89 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.58 0.752 . . . . 71.1 112.725 -169.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.9 m -62.22 147.96 46.23 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.305 1.042 . . . . 62.12 111.782 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.1 t -59.46 -41.44 89.72 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.914 0.886 . . . . 42.24 111.887 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -55.76 -42.11 74.97 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.725 0.81 . . . . 45.41 111.717 174.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.418 ' HB2' ' HG2' ' A' ' 95' ' ' MET . 43.2 mt-10 -71.86 -25.35 61.92 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.075 -0.511 . . . . 74.24 112.375 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.556 ' SD ' ' HG3' ' A' ' 66' ' ' ARG . 52.1 mtm . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.106 0.479 . . . . 65.41 110.919 173.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.964 0 CA-C-O 120.553 0.216 . . . . 52.13 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.0 t -70.49 -63.67 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.14 0.576 . . . . 71.52 110.693 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -74.68 -44.42 50.26 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 115.764 -0.653 . . . . 64.12 112.589 -175.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -62.73 -39.86 95.39 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 112.084 0.402 . . . . 71.21 112.084 -173.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.83 -33.96 76.76 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.022 -0.535 . . . . 74.34 111.126 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 71.5 m -61.67 -41.96 98.27 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.832 0.453 . . . . 74.34 111.574 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -58.65 -49.0 79.13 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.32 0.648 . . . . 73.44 110.624 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.68 -25.92 67.55 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.195 0.813 . . . . 72.11 113.195 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.1 mtm -75.54 -34.46 60.75 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 123.236 0.615 . . . . 74.24 112.128 171.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 91.7 mt -69.35 -34.44 74.61 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.061 0.458 . . . . 71.4 110.422 173.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -66.45 -43.71 84.81 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.857 0.863 . . . . 52.43 109.649 171.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.38 70.31 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.377 1.071 . . . . 75.03 112.323 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -60.62 -42.61 97.2 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.625 0.726 . . . . 71.31 111.563 171.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 76.0 mt -82.28 -19.26 39.85 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 114.969 -1.014 . . . . 70.22 112.856 -175.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -122.48 20.61 10.35 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 123.519 0.728 . . . . 65.32 111.57 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.431 HG21 ' HB2' ' A' ' 71' ' ' LYS . 13.7 t -59.46 -30.62 68.64 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 123.571 0.748 . . . . 73.45 112.161 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -111.07 -89.17 0.5 Allowed 'General case' 0 CA--C 1.557 1.245 0 N-CA-C 107.708 -1.219 . . . . 54.12 107.708 166.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -165.93 40.55 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.222 1.809 . . . . 75.14 107.632 168.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.93 -56.0 26.27 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.692 0.797 . . . . 74.31 112.516 -166.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.659 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 20.2 m-70 -76.82 -24.21 52.77 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 112.62 0.6 . . . . 75.24 112.62 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.68 -32.9 57.15 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 0 C-N-CA 124.385 1.074 . . . . 75.51 111.632 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.67 -48.08 66.75 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.55 1.14 . . . . 71.53 113.048 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.641 HD12 HD22 ' A' ' 83' ' ' LEU . 58.9 mt -91.77 -13.84 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.508 0.723 . . . . 71.14 111.139 178.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.58 22.25 34.68 Favored Glycine 0 N--CA 1.48 1.583 0 O-C-N 122.042 -0.411 . . . . 74.43 113.674 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.52 113.33 21.15 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.51 0.724 . . . . 62.14 110.342 175.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.38 107.58 0.51 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.196 0.599 . . . . 73.4 111.688 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 30' ' ' HIS . 57.0 m -56.69 -34.56 67.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.943 0.897 . . . . 63.12 112.107 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.7 -45.04 88.28 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.627 1.171 . . . . 73.12 113.666 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -69.13 -30.77 69.09 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 120.963 0.411 . . . . 73.54 111.194 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.19 -55.79 12.64 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.595 0.758 . . . . 72.34 109.439 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -59.04 -30.15 67.81 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.415 1.486 . . . . 42.31 113.447 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.37 93.62 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.259 0.624 . . . . 74.45 111.188 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.455 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 97.3 mt-30 -76.74 -34.74 58.06 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.826 -0.625 . . . . 63.53 112.016 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.0 -45.01 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 122.863 0.465 . . . . 63.31 109.887 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 49' ' ' PHE . 36.1 tt0 -58.89 -54.0 52.09 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.823 0.849 . . . . 74.34 111.492 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 71.4 mm-40 -55.49 -47.34 76.32 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 112.765 0.654 . . . . 73.43 112.765 -177.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.527 ' SG ' ' HG2' ' A' ' 90' ' ' GLN . 64.0 m -67.69 -40.16 84.37 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.457 0.703 . . . . 72.54 112.587 -175.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' A' ' 62' ' ' ARG . 14.4 tt -76.34 -25.38 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 120.683 0.277 . . . . 73.35 110.789 174.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.626 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 24.1 t80 -71.89 -35.89 69.88 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.499 0.72 . . . . 60.21 111.452 -177.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 15.9 mmp_? -58.18 -51.77 68.33 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.263 0.625 . . . . 74.52 111.691 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -85.63 -55.78 3.82 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.471 0.709 . . . . 73.0 112.103 -174.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 59' ' ' TYR . 21.4 t -96.12 -38.29 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 123.275 0.63 . . . . 75.35 111.982 -172.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.626 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -79.57 32.78 2.1 Favored Glycine 0 C--N 1.342 0.915 0 N-CA-C 116.381 1.312 . . . . 60.43 116.381 -168.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -76.84 38.9 0.21 Allowed 'General case' 0 CA--C 1.573 1.841 0 CA-C-N 117.681 0.741 . . . . 73.02 111.898 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.3 p 38.16 72.01 0.14 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 125.755 1.622 . . . . 63.14 112.648 -172.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -139.91 171.92 13.51 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.348 -0.842 . . . . 74.24 110.481 -172.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -55.31 -44.12 75.49 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 113.399 0.889 . . . . 74.22 113.399 -175.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -29.63 67.17 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 112.801 0.667 . . . . 54.14 112.801 -177.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.541 ' HA ' HG12 ' A' ' 52' ' ' VAL . 8.3 t80 -54.03 -36.78 63.39 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 124.424 1.09 . . . . 75.11 113.78 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -64.49 -54.66 28.9 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 111.875 0.324 . . . . 73.04 111.875 -178.248 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -70.96 -29.02 64.91 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.892 0.477 . . . . 75.11 112.026 -175.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HB3' HD11 ' A' ' 48' ' ' ILE . 10.3 mpt_? -69.01 -40.29 78.77 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.552 0.341 . . . . 74.02 111.251 176.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 67' ' ' ILE . 54.1 t -64.14 -47.75 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 O-C-N 123.183 0.302 . . . . 75.34 110.379 171.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.596 ' HA ' HD12 ' A' ' 67' ' ' ILE . 68.9 mtp180 -65.65 -30.68 71.41 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.267 0.627 . . . . 61.53 112.634 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.1 t -74.79 -39.94 61.43 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.058 0.543 . . . . 53.01 110.225 174.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.423 ' NH1' ' SD ' ' A' ' 100' ' ' MET . 5.3 tpm_? -57.76 -42.33 83.8 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.515 0.726 . . . . 64.11 110.565 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 64' ' ' ARG . 62.6 mt -61.62 -54.69 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.975 0.91 . . . . 75.22 110.528 173.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 t -52.62 -43.19 65.23 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 125.101 1.36 . . . . 72.31 113.046 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -75.06 -27.63 60.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.677 0.791 . . . . 74.44 112.283 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.554 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 79.2 mt -83.59 -10.95 57.91 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.019 0.528 . . . . 73.24 111.996 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.431 ' HB2' HG21 ' A' ' 26' ' ' THR . 14.3 ptmm? -121.95 7.57 9.84 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.426 0.691 . . . . 72.34 111.896 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.38 134.72 49.37 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 112.64 0.607 . . . . 73.11 112.64 -170.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.02 -39.1 56.42 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.879 0.872 . . . . 65.32 111.616 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -71.71 -30.98 66.25 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.04 0.536 . . . . 75.51 111.276 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -124.33 78.61 60.99 Favored Pre-proline 0 CA--C 1.561 1.388 0 C-N-CA 123.746 0.818 . . . . 73.43 110.073 174.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -88.04 -3.98 7.01 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 123.257 2.638 . . . . 73.12 112.697 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.5 -43.42 98.87 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.685 0.794 . . . . 64.2 110.303 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 100' ' ' MET . 47.4 tp -57.72 -41.88 82.69 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.759 0.824 . . . . 70.34 112.382 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 17.1 mtp180 -52.85 -49.58 65.49 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.743 0.817 . . . . 73.2 110.946 175.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -66.26 -39.76 89.67 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 125.137 1.375 . . . . 73.15 112.815 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.587 ' HB3' HD13 ' A' ' 87' ' ' ILE . 6.5 m-20 -69.81 -36.86 76.01 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.814 0.846 . . . . 74.42 112.095 -176.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.6 t -83.22 -24.05 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 C-N-CA 123.228 0.611 . . . . 72.53 110.628 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -59.03 -55.37 36.03 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.425 1.09 . . . . 64.3 111.222 177.373 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 28.8 p -80.88 -6.36 58.53 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.396 -0.82 . . . . 75.24 112.036 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.33 29.21 50.66 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 114.245 0.458 . . . . 70.12 114.245 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.89 -40.9 78.93 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.005 0.522 . . . . 65.02 110.951 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.587 HD13 ' HB3' ' A' ' 81' ' ' ASN . 2.3 mp -100.75 133.14 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.852 0.861 . . . . 73.11 108.95 171.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.4 p -78.41 148.4 73.8 Favored Pre-proline 0 N--CA 1.487 1.412 0 C-N-CA 122.581 0.352 . . . . 72.25 111.044 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 43' ' ' GLN . 71.5 Cg_exo -55.05 -20.73 24.55 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 123.411 2.74 . . . . 71.25 115.123 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.527 ' HG2' ' SG ' ' A' ' 47' ' ' CYS . 22.6 tm0? -74.09 -47.92 33.23 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.48 0.312 . . . . 70.12 110.288 174.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -62.25 -49.18 76.72 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 115.989 -0.551 . . . . 71.31 111.644 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.455 HD13 HD11 ' A' ' 78' ' ' LEU . 8.7 tp -57.84 -29.3 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.501 0 N-CA-C 112.764 0.654 . . . . 72.32 112.764 -175.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.72 -32.89 73.01 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.361 0.664 . . . . 72.42 112.258 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.6 m -106.47 -7.16 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 113.398 0.888 . . . . 63.24 113.398 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 88.5 mtp -73.93 132.2 42.21 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 112.409 0.522 . . . . 71.43 112.409 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.5 ' HB ' ' HG2' ' A' ' 99' ' ' GLU . 16.6 m -70.39 161.8 29.81 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.861 1.264 . . . . 70.44 110.996 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.6 p -50.04 -45.23 52.01 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.401 1.081 . . . . 72.1 113.278 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.48 -32.55 71.51 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.379 0.671 . . . . 65.22 112.64 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.5 ' HG2' ' HB ' ' A' ' 96' ' ' THR . 9.6 mm-40 -68.37 -38.71 81.65 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.77 0.795 . . . . 74.22 110.387 177.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.513 ' HB3' HD22 ' A' ' 78' ' ' LEU . 74.4 mtm . . . . . 0 N--CA 1.479 0.977 0 CA-C-N 114.716 -1.129 . . . . 53.03 112.769 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 110.321 -0.252 . . . . 73.34 110.321 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -75.34 -41.56 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 113.458 0.91 . . . . 71.24 113.458 -162.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -51.27 70.27 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.849 -0.426 . . . . 71.54 109.849 172.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -59.55 -32.96 70.82 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.305 1.042 . . . . 72.32 112.019 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -73.52 -33.06 64.58 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.336 0.655 . . . . 53.41 111.155 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.1 m -71.82 -39.46 69.77 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.349 -0.387 . . . . 73.53 110.614 173.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -62.13 -46.92 86.86 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.98 0.512 . . . . 74.45 111.54 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.81 -35.45 74.71 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 112.145 0.424 . . . . 60.42 112.145 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.8 mtm -74.64 -44.04 52.42 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.145 0.578 . . . . 55.41 112.302 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.54 -48.69 79.87 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.495 0.718 . . . . 52.52 110.976 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.454 HG23 ' SG ' ' A' ' 37' ' ' CYS . 85.7 m -61.11 -36.87 80.86 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.821 1.248 . . . . 73.41 111.817 176.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -30.96 70.92 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.053 0.541 . . . . 71.45 112.16 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.626 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -68.91 -37.06 78.71 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.693 0.397 . . . . 72.31 110.843 170.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.6 HD23 ' HG2' ' A' ' 79' ' ' ARG . 73.3 mt -73.85 -7.68 53.17 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 123.677 0.791 . . . . 53.41 112.022 173.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.482 ' HG2' ' CD2' ' A' ' 30' ' ' HIS . 51.6 mt-30 -120.58 23.5 10.77 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.838 1.255 . . . . 73.11 111.149 173.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.4 HG22 ' HE ' ' A' ' 79' ' ' ARG . 12.1 t -58.84 -30.11 67.43 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.573 0.583 . . . . 74.24 112.573 -176.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -133.59 34.95 3.42 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.011 0.924 . . . . 62.43 109.27 170.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.6 m170 58.32 33.36 23.06 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.908 1.283 . . . . 74.24 111.7 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.92 -45.46 90.3 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.764 1.225 . . . . 74.2 113.208 -163.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.482 ' CD2' ' HG2' ' A' ' 25' ' ' GLN . 2.8 p80 -58.96 -23.49 61.63 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 123.946 0.898 . . . . 71.25 113.203 -176.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.28 -54.43 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.317 0.647 . . . . 74.41 110.594 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.64 69.48 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.554 0.742 . . . . 70.2 112.097 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.0 mt -79.44 -32.05 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 C-N-CA 123.432 0.693 . . . . 74.51 111.493 175.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.5 50.68 5.58 Favored Glycine 0 CA--C 1.535 1.343 0 N-CA-C 113.834 0.294 . . . . 52.23 113.834 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 30' ' ' HIS . . . -135.87 137.1 41.13 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.658 0.783 . . . . 72.02 110.316 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.95 97.83 2.9 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.232 0.539 . . . . 61.33 110.853 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' A' ' 21' ' ' THR . 13.0 p -63.69 -33.42 75.61 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.181 0.992 . . . . 64.14 112.181 -178.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.36 -35.29 80.52 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.68 0.792 . . . . 70.23 112.002 174.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -70.55 -43.61 69.16 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.746 0.818 . . . . 62.41 109.68 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.492 HD12 HD23 ' A' ' 83' ' ' LEU . 74.3 mt -62.87 -45.06 94.32 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.865 -0.607 . . . . 71.42 110.728 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 29.9 t -64.59 -30.63 71.66 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.83 0.852 . . . . 60.13 112.027 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.77 94.39 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.185 0.594 . . . . 53.34 111.805 174.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -73.46 -33.17 64.74 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 115.725 -0.671 . . . . 73.41 110.958 175.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 41' ' ' SER . 91.3 mt -62.48 -39.8 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.908 0.883 . . . . 64.24 111.294 174.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 41' ' ' SER . 46.7 mt-10 -52.67 -49.96 64.22 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.6 0.76 . . . . 75.4 112.407 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -33.31 65.4 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.71 0.404 . . . . 70.43 111.77 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.0 m -70.45 -34.47 72.48 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.425 0.69 . . . . 74.12 112.689 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.441 ' O ' ' HB ' ' A' ' 52' ' ' VAL . 14.9 tt -83.37 -30.38 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 N-CA-C 109.626 -0.509 . . . . 71.33 109.626 175.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -57.94 -25.56 61.1 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.55 1.14 . . . . 74.52 113.002 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -55.41 -68.04 0.23 Allowed 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.046 0.938 . . . . 74.24 112.301 -177.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.87 -32.8 15.89 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.126 0.57 . . . . 71.14 112.135 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.636 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 94.2 t -94.83 -23.31 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 113.537 0.94 . . . . 72.11 113.537 -168.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.04 29.53 1.11 Allowed Glycine 0 CA--C 1.545 1.932 0 N-CA-C 116.467 1.347 . . . . 63.23 116.467 -171.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -74.76 -15.95 60.75 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.857 0.863 . . . . 73.02 112.407 175.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.3 p 55.43 34.14 22.36 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 125.601 1.561 . . . . 74.11 113.261 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -103.52 -53.56 2.76 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 123.757 0.823 . . . . 63.02 112.023 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 42.4 ttm -163.96 -41.14 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.302 1.041 . . . . 65.0 110.539 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.636 ' HD2' ' HA ' ' A' ' 52' ' ' VAL . 38.6 ttmt -53.69 -43.1 68.67 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.292 0.637 . . . . 74.32 110.874 176.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.464 ' HA ' HG12 ' A' ' 52' ' ' VAL . 51.3 t80 -62.39 -33.71 75.29 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.19 0.996 . . . . 65.45 112.946 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 34.7 mmtp -72.71 -55.21 7.13 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 122.4 0.28 . . . . 40.53 111.473 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -70.19 -43.28 71.07 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.648 0.779 . . . . 72.14 111.936 -171.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.407 ' HG2' HG21 ' A' ' 52' ' ' VAL . 11.5 tpt180 -57.97 -46.07 85.73 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.471 0.708 . . . . 73.15 112.25 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.09 -45.58 98.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 C-N-CA 123.085 0.554 . . . . 73.03 111.076 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 9.6 mmm180 -57.32 -48.8 78.02 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.386 0.674 . . . . 70.23 112.291 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 t -67.55 -40.22 84.99 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.402 0.681 . . . . 62.14 111.83 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -47.7 74.28 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.594 0.757 . . . . 74.5 111.571 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.626 HG23 ' HB2' ' A' ' 23' ' ' ALA . 94.3 mt -57.28 -41.92 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 123.753 0.821 . . . . 73.31 111.087 173.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 t -60.77 -41.13 94.92 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 115.58 -0.736 . . . . 74.22 111.888 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -71.34 -29.92 65.56 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.45 0.7 . . . . 70.25 112.418 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.26 -31.37 72.55 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.982 0.513 . . . . 72.3 112.054 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -107.75 0.06 22.05 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.763 0.825 . . . . 62.21 112.052 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.18 146.64 31.67 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.074 0.55 . . . . 72.22 111.974 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.51 -16.91 61.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.402 0.89 . . . . 73.13 113.402 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -75.76 -25.79 56.82 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 117.869 0.304 . . . . 70.2 111.397 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -152.83 68.88 6.94 Favored Pre-proline 0 CA--C 1.568 1.668 0 C-N-CA 123.355 0.662 . . . . 73.04 112.063 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.97 -20.96 11.26 Favored 'Trans proline' 0 C--N 1.383 2.352 0 C-N-CA 122.549 2.166 . . . . 75.45 112.608 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.29 -17.86 61.84 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.794 0.838 . . . . 70.24 111.702 175.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.0 tp -53.96 -53.77 48.24 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.954 0.902 . . . . 64.24 111.345 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.6 ' HG2' HD23 ' A' ' 24' ' ' LEU . 1.8 tmm_? -61.58 -42.56 99.03 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.531 1.132 . . . . 65.23 112.106 176.417 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -61.73 -45.95 91.72 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.563 0.745 . . . . 64.44 111.559 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -65.48 -32.52 74.17 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.179 0.992 . . . . 74.42 112.754 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.85 -44.87 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-O 121.137 0.494 . . . . 64.44 110.508 174.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.492 HD23 HD12 ' A' ' 40' ' ' LEU . 76.3 mt -70.29 -32.01 69.6 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 115.276 -0.875 . . . . 75.34 111.829 177.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.9 m -81.22 -9.06 59.85 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.648 0.779 . . . . 71.51 112.137 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.8 -1.65 88.48 Favored Glycine 0 CA--C 1.539 1.577 0 N-CA-C 114.256 0.462 . . . . 64.31 114.256 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.47 -30.71 70.49 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.777 0.831 . . . . 71.21 111.694 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 68.5 mt -117.34 127.19 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.169 0.987 . . . . 60.22 108.56 169.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.3 p -75.41 151.82 85.48 Favored Pre-proline 0 N--CA 1.492 1.668 0 CA-C-O 119.547 -0.263 . . . . 74.51 110.938 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -49.41 -31.08 22.29 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 123.342 2.695 . . . . 63.52 114.522 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -74.18 -46.61 41.09 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 119.483 -0.294 . . . . 71.31 111.413 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -54.55 -55.16 32.09 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.278 0.631 . . . . 73.51 111.649 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.2 tp -63.38 -29.83 48.24 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.576 0 N-CA-C 112.746 0.647 . . . . 73.43 112.746 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.95 34.53 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 112.503 0.557 . . . . 75.45 112.503 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.4 m -83.6 -25.41 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 C-N-CA 123.293 0.637 . . . . 65.44 112.189 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 48.4 ttp -67.12 126.11 28.14 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.402 0.681 . . . . 70.13 111.663 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -84.29 170.18 13.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.903 0.481 . . . . 75.33 110.916 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -62.02 -30.64 71.1 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.743 0.817 . . . . 75.14 112.908 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.42 -52.01 67.4 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.09 0.556 . . . . 75.23 111.624 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.57 -43.4 80.71 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.723 0.809 . . . . 74.11 110.783 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 CA--C 1.558 1.282 0 CA-C-N 114.253 -1.34 . . . . 73.42 112.257 -176.227 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 113.036 0.754 . . . . 70.32 113.036 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.04 -49.32 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 113.778 1.029 . . . . 70.1 113.778 -169.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -43.05 67.05 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 122.798 0.439 . . . . 73.12 111.05 -178.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -61.58 -32.54 72.65 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.858 0.463 . . . . 50.24 111.196 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.04 -51.64 63.2 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.871 0.868 . . . . 74.31 110.999 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -60.31 -39.8 88.25 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.347 0.659 . . . . 74.4 111.301 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -63.13 -45.69 90.78 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.475 1.11 . . . . 64.2 111.705 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -64.19 -40.15 95.5 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.845 0.858 . . . . 74.24 111.898 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.478 ' HB3' HD13 ' A' ' 67' ' ' ILE . 59.5 mtm -74.31 -42.01 60.2 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 122.92 0.488 . . . . 64.1 111.977 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.57 -41.91 98.08 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 122.813 0.445 . . . . 74.54 110.791 174.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 93.0 m -62.54 -40.46 96.88 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.262 0.625 . . . . 62.51 111.054 173.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.59 71.95 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.657 0.783 . . . . 75.22 112.137 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.725 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -61.06 -45.32 95.24 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.927 0.491 . . . . 51.41 110.547 170.284 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 79' ' ' ARG . 42.8 mt -75.24 -18.44 60.1 Favored 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 123.954 0.902 . . . . 73.21 112.28 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 21' ' ' THR . 15.7 mm100 -86.89 -16.21 36.69 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.073 0.949 . . . . 73.11 113.042 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 23' ' ' ALA . 15.0 t -57.92 -33.18 68.51 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.679 0.622 . . . . 75.13 112.679 -173.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -132.47 157.31 44.95 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.856 0.862 . . . . 73.44 109.732 169.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -87.82 37.41 0.8 Allowed 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 112.843 0.683 . . . . 62.43 112.843 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.89 -40.29 92.5 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 120.964 0.412 . . . . 75.55 110.722 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -60.2 -32.21 70.89 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 115.446 -0.797 . . . . 72.53 112.474 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -74.33 -45.96 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 123.236 0.614 . . . . 74.13 110.61 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.4 94.08 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.243 1.017 . . . . 62.32 112.517 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.512 HG21 ' HA ' ' A' ' 84' ' ' CYS . 81.4 mt -80.55 -34.42 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 C-N-CA 123.925 0.89 . . . . 73.01 110.947 177.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.92 31.02 9.58 Favored Glycine 0 N--CA 1.476 1.339 0 CA-C-N 116.548 -0.296 . . . . 72.12 113.613 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 134.92 54.18 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.777 0.831 . . . . 73.05 111.043 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -76.27 99.88 4.92 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.264 0.554 . . . . 65.12 109.923 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.5 p -65.49 -23.7 66.97 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.596 0.758 . . . . 74.23 112.987 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.3 -40.72 74.07 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.335 0.654 . . . . 74.42 112.198 -171.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.34 -29.06 42.1 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 117.469 0.122 . . . . 75.23 110.731 176.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 44' ' ' ILE . 95.0 mt -59.07 -41.03 86.99 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.253 0.621 . . . . 64.44 110.953 173.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.7 t -60.58 -42.8 97.43 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.615 1.166 . . . . 65.14 112.461 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.88 -32.15 73.5 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.08 0.552 . . . . 51.15 111.484 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -73.31 -31.84 64.26 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.528 0.731 . . . . 73.31 112.024 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 40' ' ' LEU . 78.4 mt -63.46 -40.7 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 109.246 -0.65 . . . . 65.22 109.246 169.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 48' ' ' ILE . 34.6 tt0 -61.96 -39.63 92.78 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.869 -0.605 . . . . 72.03 111.509 176.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -51.52 -42.97 62.14 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.077 0.551 . . . . 70.53 111.648 175.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.8 -50.38 12.45 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.507 -0.769 . . . . 65.31 112.665 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.487 HG22 ' HA ' ' A' ' 45' ' ' GLU . 13.8 tt -77.52 -26.58 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 123.008 0.523 . . . . 72.54 112.39 -170.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -68.93 -26.65 65.18 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.42 0.688 . . . . 73.03 111.635 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -65.18 -43.97 89.98 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 120.832 0.349 . . . . 75.53 110.973 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -85.71 -54.54 4.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.801 0.84 . . . . 72.22 112.144 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.54 HG13 ' HD3' ' A' ' 58' ' ' LYS . 2.5 t -99.56 -14.42 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 124.221 1.008 . . . . 70.32 112.672 -169.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.1 27.79 1.43 Allowed Glycine 0 N--CA 1.48 1.629 0 N-CA-C 116.555 1.382 . . . . 52.02 116.555 -169.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -78.54 5.94 9.75 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 124.353 1.061 . . . . 74.51 112.224 170.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.2 p 66.54 13.74 9.42 Favored 'General case' 0 N--CA 1.503 2.184 0 C-N-CA 126.209 1.804 . . . . 64.01 114.23 171.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -70.67 170.86 11.44 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.436 0.694 . . . . 64.23 110.436 172.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.9 mmt -57.18 -25.96 59.85 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.587 0.755 . . . . 70.44 112.496 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HD3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -59.11 -36.75 75.71 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.429 0.692 . . . . 65.52 112.003 172.489 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -70.99 -37.4 72.7 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.705 0.802 . . . . 64.43 111.559 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -40.13 62.91 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 122.912 0.485 . . . . 63.33 111.323 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -74.28 -50.81 17.35 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.96 0.904 . . . . 74.11 112.493 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -64.72 -34.86 79.32 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.026 0.531 . . . . 72.3 111.789 -175.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.7 t -67.43 -55.07 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 C-N-CA 122.916 0.486 . . . . 61.2 110.925 174.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.661 ' HA ' HD12 ' A' ' 67' ' ' ILE . 7.5 ptp180 -63.75 -33.23 75.19 Favored 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 112.836 0.68 . . . . 74.22 112.836 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.7 t -67.4 -36.57 81.55 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.356 0.662 . . . . 71.45 111.102 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -73.59 -36.21 65.51 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.031 -0.986 . . . . 73.14 110.962 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.725 HG23 ' HB2' ' A' ' 23' ' ' ALA . 83.9 mt -60.24 -45.12 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 125.06 1.344 . . . . 73.54 111.358 171.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.6 t -60.03 -40.62 89.97 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.453 -0.794 . . . . 53.15 110.663 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.78 -36.54 84.65 Favored 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.842 1.257 . . . . 53.25 112.688 175.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.38 -38.83 88.42 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.192 0.597 . . . . 75.55 112.01 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -98.05 8.38 44.86 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.491 0.716 . . . . 62.31 112.129 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -69.19 150.99 46.88 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.509 0.723 . . . . 60.31 112.134 -172.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.7 -24.82 56.28 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.622 0.769 . . . . 74.34 113.008 -175.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -69.73 -42.3 74.14 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.885 0.474 . . . . 75.1 111.465 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -155.38 89.91 2.96 Favored Pre-proline 0 CA--C 1.561 1.376 0 C-N-CA 122.638 0.375 . . . . 71.13 111.549 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -86.45 -7.16 7.83 Favored 'Trans proline' 0 CA--C 1.561 1.842 0 C-N-CA 123.05 2.5 . . . . 63.23 112.636 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.93 -22.15 59.78 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.153 0.981 . . . . 72.53 111.387 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 tp -51.46 -51.67 53.01 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.818 1.247 . . . . 75.34 111.17 168.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.451 ' HG3' HD23 ' A' ' 24' ' ' LEU . 36.0 ttp85 -60.47 -41.91 95.14 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.011 -1.45 . . . . 63.02 111.753 177.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -65.57 -32.93 74.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.939 0.496 . . . . 63.54 111.784 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -65.4 -35.43 80.92 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.935 0.494 . . . . 62.53 111.198 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.51 -42.06 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 123.034 0.534 . . . . 71.31 110.415 173.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.6 mt -70.19 -23.11 62.9 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.098 0.959 . . . . 75.41 112.281 178.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.512 ' HA ' HG21 ' A' ' 33' ' ' ILE . 54.0 t -86.02 -13.29 47.94 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.729 0.811 . . . . 75.44 111.609 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.19 9.42 86.08 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-O 120.091 -0.283 . . . . 65.42 113.652 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.33 -43.93 66.06 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.751 0.82 . . . . 72.43 110.522 174.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 59.6 mt -103.56 125.85 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.66 0.784 . . . . 74.2 109.052 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.3 p -83.43 154.74 66.16 Favored Pre-proline 0 N--CA 1.486 1.351 0 C-N-CA 122.834 0.454 . . . . 64.3 110.831 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.12 -35.21 18.94 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 123.657 2.905 . . . . 61.11 115.457 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -33.2 57.91 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 112.184 0.438 . . . . 75.14 112.184 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 95' ' ' MET . 50.6 mt-30 -64.87 -57.27 9.27 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 122.538 0.335 . . . . 74.31 110.875 174.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.9 tp -60.92 -18.02 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 123.044 0.538 . . . . 72.41 112.355 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.11 -36.84 34.77 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 123.559 0.743 . . . . 52.5 112.536 174.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m -92.81 -15.48 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 113.38 0.882 . . . . 53.35 113.38 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 91' ' ' GLN . 92.9 mtp -64.78 138.54 58.44 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 122.966 0.506 . . . . 61.43 112.059 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.5 p -79.16 167.6 20.78 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.621 0.368 . . . . 64.24 110.68 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 50.0 m -59.47 -29.76 68.04 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 122.844 0.458 . . . . 60.32 111.263 174.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.06 -51.58 67.41 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.352 1.061 . . . . 71.12 110.48 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -68.22 -36.76 80.02 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.096 0.959 . . . . 72.54 112.889 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.8 mtm . . . . . 0 N--CA 1.481 1.08 0 C-N-CA 123.242 0.617 . . . . 73.51 111.703 -179.258 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 112.31 0.485 . . . . 64.15 112.31 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -49.33 -44.15 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 124.924 1.29 . . . . 75.1 113.465 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -54.86 13.18 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.749 0.42 . . . . 65.44 110.83 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.43 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 29.2 t-20 -61.98 -33.7 74.8 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 123.534 0.733 . . . . 74.21 111.954 -177.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -60.28 -33.3 72.15 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.976 0.91 . . . . 75.33 111.306 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' A' ' 63' ' ' VAL . 62.8 m -62.7 -48.51 78.98 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.066 0.854 . . . . 75.44 111.354 175.025 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -54.88 -50.49 68.59 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.413 0.685 . . . . 74.31 110.471 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 17.1 mm-40 -61.89 -47.63 84.12 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 115.584 -0.735 . . . . 63.32 112.423 -175.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.561 ' SD ' HD11 ' A' ' 67' ' ' ILE . 23.2 ptp -72.33 -31.9 66.05 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.045 0.538 . . . . 64.13 112.222 -176.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 91.1 mt -68.48 -41.04 80.68 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.589 0.356 . . . . 75.01 110.665 173.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.2 m -59.67 -38.4 81.41 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.35 0.66 . . . . 64.11 111.236 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.23 97.93 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.343 0.657 . . . . 71.41 111.503 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -66.7 -28.6 68.57 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.482 0.713 . . . . 70.41 111.997 174.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 20' ' ' LEU . 80.2 mt -83.92 -8.46 59.17 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.527 0.731 . . . . 65.25 112.731 177.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -118.43 17.29 13.8 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.733 0.813 . . . . 75.11 111.443 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 t -60.06 -49.38 77.9 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.581 0.956 . . . . 73.12 113.581 -172.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -130.38 28.98 4.91 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 122.908 0.483 . . . . 73.05 111.837 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.4 m80 58.61 26.99 15.13 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.771 0.828 . . . . 74.14 111.124 -174.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -57.1 -47.25 81.52 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.189 1.796 . . . . 64.51 112.514 -177.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -64.8 -33.37 75.82 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.445 0.698 . . . . 72.31 112.191 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.92 -39.94 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 C-N-CA 123.322 0.649 . . . . 75.22 110.871 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.97 70.93 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.106 0.962 . . . . 74.04 112.429 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.43 HD13 ' SG ' ' A' ' 84' ' ' CYS . 64.2 mt -95.34 -22.33 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 123.755 0.822 . . . . 55.22 111.462 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.75 14.87 62.41 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 122.708 0.194 . . . . 55.15 113.438 -175.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.05 139.29 34.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.98 0.912 . . . . 72.34 111.948 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.545 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . 6.0 m-20 -87.66 112.06 21.94 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.466 0.706 . . . . 64.33 110.721 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.2 p -72.52 -45.82 57.51 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.367 1.247 . . . . 73.25 114.367 -168.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -59.17 -35.77 74.13 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 123.767 0.827 . . . . 72.41 113.203 -168.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.545 ' HD3' ' HB2' ' A' ' 36' ' ' ASP . 4.8 ptm180 -74.74 -37.08 62.61 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.403 -0.817 . . . . 64.04 112.17 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 64.4 mt -63.25 -43.16 98.79 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 122.735 0.414 . . . . 74.52 111.571 -177.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.9 p -60.81 -38.95 87.13 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.07 0.948 . . . . 75.14 112.016 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.79 82.14 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.622 0.769 . . . . 51.44 112.084 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 73.3 mt-30 -68.05 -31.4 71.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.242 0.617 . . . . 71.3 111.456 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 40' ' ' LEU . 80.3 mt -67.02 -49.43 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 123.339 0.656 . . . . 63.12 110.161 171.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.0 -50.96 72.1 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.728 1.211 . . . . 71.25 112.943 -173.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.73 -34.74 74.87 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.945 0.72 . . . . 71.32 112.945 -177.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.1 t -70.33 -46.71 63.65 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.461 0.704 . . . . 73.5 111.588 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 tt -82.14 -31.19 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.53 0 N-CA-C 113.157 0.799 . . . . 75.12 113.157 -172.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -65.31 -29.11 69.82 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 123.326 0.65 . . . . 71.23 112.536 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -59.46 -42.88 93.02 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 122.904 0.481 . . . . 74.41 111.785 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.78 -45.76 9.52 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.675 0.79 . . . . 74.04 112.064 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.746 HG13 ' HD2' ' A' ' 58' ' ' LYS . 17.5 t -95.66 -13.25 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 124.171 0.988 . . . . 61.13 112.902 -168.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.25 11.09 2.25 Favored Glycine 0 CA--C 1.54 1.608 0 N-CA-C 116.962 1.545 . . . . 72.12 116.962 -169.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -65.32 -21.28 66.69 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 117.697 0.748 . . . . 73.42 111.55 166.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.433 ' HA ' ' HB3' ' A' ' 59' ' ' TYR . 30.7 p 66.01 12.07 8.18 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 126.639 1.975 . . . . 71.42 114.832 171.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -74.08 78.89 1.73 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.021 0.528 . . . . 62.12 111.712 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tpt 70.67 -60.0 0.51 Allowed 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 126.008 1.723 . . . . 73.33 113.639 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.746 ' HD2' HG13 ' A' ' 52' ' ' VAL . 10.3 ttmm -50.32 -44.53 54.24 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.943 1.297 . . . . 74.03 113.405 -173.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.433 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 81.6 t80 -58.51 -48.83 79.53 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 112.802 0.667 . . . . 70.21 112.802 -175.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -64.15 -49.84 70.55 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 122.926 0.141 . . . . 73.23 110.929 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -60.2 -37.74 81.18 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.464 0.706 . . . . 73.32 111.975 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -64.39 -47.06 80.65 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.135 0.974 . . . . 73.53 111.391 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.481 HG21 ' SG ' ' A' ' 16' ' ' CYS . 96.7 t -63.87 -38.8 83.3 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 C-N-CA 122.612 0.365 . . . . 55.31 110.912 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -59.23 -42.88 92.11 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.433 0.693 . . . . 74.44 111.101 172.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.9 m -67.29 -36.51 81.7 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.334 0.654 . . . . 61.24 111.802 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.528 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 25.2 mmt180 -59.11 -53.39 58.87 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.514 0.726 . . . . 74.32 110.45 176.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.561 HD11 ' SD ' ' A' ' 19' ' ' MET . 71.4 mt -56.19 -42.31 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 C-N-CA 123.904 0.881 . . . . 64.11 111.762 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 39.1 t -55.3 -51.48 66.57 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.816 0.846 . . . . 70.42 112.153 -176.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.57 ' HB2' HD21 ' A' ' 75' ' ' ASN . 2.4 p-10 -71.54 -26.67 62.74 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 112.441 0.534 . . . . 74.24 112.441 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 66' ' ' ARG . 94.3 mt -63.12 -39.12 93.77 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 122.882 0.473 . . . . 72.24 111.845 177.05 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -103.24 3.59 35.73 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.5 0.72 . . . . 75.32 112.713 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 68' ' ' SER . 4.1 t70 -82.08 146.98 29.36 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.044 0.45 . . . . 74.41 111.873 -174.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -18.48 45.51 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.94 0.896 . . . . 62.31 112.924 -176.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -70.25 -35.63 73.93 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.333 0.653 . . . . 73.43 111.738 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.57 HD21 ' HB2' ' A' ' 69' ' ' ASN . 19.0 p-10 -137.63 68.77 52.61 Favored Pre-proline 0 CA--C 1.57 1.724 0 C-N-CA 123.456 0.702 . . . . 72.22 112.468 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.95 -22.41 8.75 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.541 2.161 . . . . 53.5 112.522 173.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -63.53 -31.33 72.46 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.205 1.402 . . . . 75.51 111.944 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 56.9 tp -54.79 -57.08 12.97 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 124.011 0.924 . . . . 74.34 112.574 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.415 ' HD2' HD22 ' A' ' 24' ' ' LEU . 9.5 tpp180 -74.11 -34.11 63.82 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.551 0.34 . . . . 64.1 111.464 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -53.92 -43.75 70.0 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.859 0.464 . . . . 75.1 111.127 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -67.0 -34.57 78.02 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 123.851 0.86 . . . . 74.41 112.18 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.63 -47.57 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 CA-C-O 120.975 0.417 . . . . 61.3 110.975 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.11 -32.85 71.38 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.246 1.019 . . . . 52.02 112.32 175.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.43 ' SG ' HD13 ' A' ' 33' ' ' ILE . 98.0 m -80.12 -13.44 59.27 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.245 0.618 . . . . 71.34 112.312 176.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.53 3.87 74.18 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 119.7 -0.5 . . . . 62.15 114.195 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.16 74.86 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.467 0.707 . . . . 64.01 110.545 175.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 66.7 mt -107.57 137.87 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 123.849 0.859 . . . . 74.43 109.003 173.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.4 p -86.88 152.52 53.84 Favored Pre-proline 0 N--CA 1.487 1.395 0 O-C-N 122.177 -0.327 . . . . 73.32 111.176 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -56.08 -22.74 40.84 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 122.832 2.354 . . . . 61.13 114.117 169.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -69.16 -45.39 70.14 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.291 0.636 . . . . 65.53 110.717 174.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -56.26 -56.62 18.72 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.633 0.773 . . . . 74.2 111.513 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.409 HG21 HH22 ' A' ' 79' ' ' ARG . 9.8 tp -63.35 -20.46 26.13 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 C-N-CA 123.525 0.73 . . . . 70.34 112.314 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.29 -33.68 59.09 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.399 0.68 . . . . 62.25 112.498 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.2 m -105.53 -15.5 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 113.343 0.868 . . . . 72.31 113.343 -175.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.496 ' HE3' ' HG2' ' A' ' 100' ' ' MET . 31.5 ttp -76.8 137.18 39.09 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.566 0.746 . . . . 63.45 112.676 -173.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 t -75.63 165.73 24.63 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.616 0.766 . . . . 72.53 111.738 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.3 p -64.74 -30.24 71.25 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 114.071 1.137 . . . . 74.12 114.071 -171.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.55 -48.94 73.17 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.759 0.79 . . . . 75.34 110.445 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -78.0 -23.04 48.46 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 114.821 -1.081 . . . . 74.21 112.106 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.496 ' HG2' ' HE3' ' A' ' 95' ' ' MET . 68.2 mtm . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 110.042 -0.355 . . . . 61.03 110.042 169.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 112.208 0.448 . . . . 63.21 112.208 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.08 -60.56 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 123.513 0.725 . . . . 73.03 111.052 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -31.88 70.34 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.064 -0.516 . . . . 73.21 111.153 177.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -59.18 -33.05 70.48 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 120.729 0.3 . . . . 72.53 110.7 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -78.91 -35.91 42.74 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 123.208 0.603 . . . . 74.01 111.561 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.2 m -62.6 -53.93 47.19 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 123.621 0.768 . . . . 54.35 112.37 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 ptt85 -55.07 -40.83 70.76 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 112.267 0.469 . . . . 62.44 112.267 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.93 -34.86 69.4 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.876 1.065 . . . . 70.25 113.876 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.786 ' SD ' HD11 ' A' ' 67' ' ' ILE . 23.8 ptp -72.83 -29.46 63.25 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 120.76 0.314 . . . . 73.42 111.022 176.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.18 -41.14 67.34 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.374 0.67 . . . . 70.1 111.061 172.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.7 m -62.99 -38.18 90.13 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.546 0.738 . . . . 54.44 110.425 173.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.524 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -61.56 -39.44 91.14 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.086 0.954 . . . . 73.12 111.632 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.59 74.27 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.391 0.676 . . . . 72.22 112.61 174.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.92 -11.28 51.13 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 113.396 0.887 . . . . 73.43 113.396 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.524 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 19.6 pt20 -116.79 5.36 13.07 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 123.398 0.679 . . . . 72.43 111.788 178.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -55.55 -39.34 70.47 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.089 0.955 . . . . 73.2 113.272 -170.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -124.01 20.48 9.11 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 123.686 0.794 . . . . 63.41 109.992 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.5 m80 63.26 38.51 10.33 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 124.837 1.255 . . . . 71.21 111.045 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.08 -47.48 79.92 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.778 1.231 . . . . 44.35 111.569 -173.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -62.51 -29.36 70.49 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.077 -0.965 . . . . 75.15 111.789 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.9 t -70.35 -42.59 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 123.152 0.581 . . . . 62.15 110.57 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.44 79.74 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.752 0.821 . . . . 43.22 112.091 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.9 mt -88.05 -25.56 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 123.791 0.837 . . . . 63.13 111.635 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.86 28.48 37.93 Favored Glycine 0 CA--C 1.536 1.389 0 CA-C-N 116.294 -0.412 . . . . 52.21 113.732 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.16 138.35 36.38 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.142 0.977 . . . . 64.33 111.416 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -80.09 98.39 7.25 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.643 0.377 . . . . 53.22 110.373 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -67.35 -23.29 65.59 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.107 1.151 . . . . 65.52 114.107 -173.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -70.64 -41.9 71.56 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.275 0.63 . . . . 74.01 111.751 -173.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -73.41 -34.04 65.28 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.116 0.566 . . . . 74.4 111.443 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.61 -48.89 70.72 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.876 0.47 . . . . 74.42 111.276 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.5 p -58.89 -37.31 76.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.322 1.049 . . . . 72.53 112.089 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.49 -31.96 72.78 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.081 0.953 . . . . 60.41 112.161 173.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -78.1 -30.29 49.45 Favored 'General case' 0 CA--C 1.563 1.442 0 C-N-CA 123.285 0.634 . . . . 74.14 112.241 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' A' ' 89' ' ' PRO . 3.6 mp -65.52 -43.46 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 N-CA-C 108.952 -0.759 . . . . 63.2 108.952 166.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -59.77 -51.54 69.33 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.244 -0.889 . . . . 75.52 112.127 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -64.36 -32.63 74.32 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.673 0.389 . . . . 74.1 111.828 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.12 -49.16 65.86 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.349 0.66 . . . . 74.11 111.827 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.6 tt -72.14 -24.02 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.537 0 C-N-CA 122.769 0.427 . . . . 55.53 111.017 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.84 -37.55 67.39 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.681 0.792 . . . . 72.14 111.682 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -64.95 -42.29 94.75 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.25 0.62 . . . . 74.23 112.573 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -91.65 -54.06 4.04 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.589 0.709 . . . . 71.31 112.318 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -103.69 -9.41 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 C-N-CA 124.217 1.007 . . . . 74.44 112.988 -166.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.94 14.15 0.14 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 117.809 1.884 . . . . 52.22 117.809 -171.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -64.81 -12.2 45.35 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.792 0.837 . . . . 64.43 112.365 163.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p 61.99 34.86 16.42 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 125.729 1.611 . . . . 71.53 113.294 173.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.87 -169.0 2.36 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-N 115.806 -0.634 . . . . 73.1 110.781 178.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -56.85 -44.48 82.18 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.195 0.998 . . . . 55.52 112.828 -171.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -64.24 -35.9 82.33 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.24 0.616 . . . . 74.44 112.198 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -62.31 -48.37 80.14 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.519 0.728 . . . . 63.1 110.828 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.9 mmtp -55.12 -47.46 74.99 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.288 0.992 . . . . 55.54 111.404 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -61.53 -47.78 84.04 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.542 0.737 . . . . 71.21 111.585 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -60.86 -37.12 81.02 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.722 0.809 . . . . 72.35 112.189 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.4 t -69.08 -46.57 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 122.988 0.515 . . . . 54.5 111.038 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 39.7 mtm180 -61.26 -40.55 94.5 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 122.587 0.355 . . . . 71.25 111.626 179.055 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.3 t -67.85 -36.1 79.73 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.486 0.715 . . . . 73.4 111.161 175.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.53 ' HE ' ' HG ' ' A' ' 70' ' ' LEU . 6.6 tpm_? -65.61 -43.42 89.65 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.797 0.439 . . . . 75.11 110.976 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.786 HD11 ' SD ' ' A' ' 19' ' ' MET . 53.8 mt -58.13 -57.42 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 123.418 0.687 . . . . 73.43 110.627 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.2 p -58.37 -42.74 87.66 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.136 0.974 . . . . 71.15 112.208 -174.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.468 ' O ' HD23 ' A' ' 78' ' ' LEU . 86.0 m-20 -75.2 -26.99 59.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.134 0.573 . . . . 74.03 112.509 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.53 ' HG ' ' HE ' ' A' ' 66' ' ' ARG . 55.7 mt -66.39 -62.7 1.33 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.745 -0.465 . . . . 73.22 109.745 170.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 18.7 ptpt -75.91 15.86 0.48 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 113.357 0.873 . . . . 71.32 113.357 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.69 135.99 56.47 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.263 1.025 . . . . 64.31 112.44 -175.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.85 -29.91 32.32 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.39 -0.823 . . . . 61.15 111.945 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -74.88 -27.18 60.14 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 122.947 0.499 . . . . 61.52 111.49 -175.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -136.3 85.1 27.61 Favored Pre-proline 0 CA--C 1.564 1.481 0 C-N-CA 123.778 0.831 . . . . 73.43 109.118 172.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -71.39 -25.82 21.16 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.708 2.272 . . . . 70.23 111.569 173.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.495 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 16.0 m-20 -66.88 -20.43 65.92 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.16 0.984 . . . . 73.23 112.436 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 69' ' ' ASN . 41.5 tp -63.35 -56.33 17.24 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.021 0.528 . . . . 41.11 111.959 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -71.57 -32.91 68.6 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.368 0.267 . . . . 65.11 110.615 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.495 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 78.4 ttt180 -56.67 -38.68 72.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.596 1.158 . . . . 72.33 111.744 176.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.66 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 92.8 m-20 -73.82 -31.39 63.21 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.677 0.791 . . . . 40.14 112.278 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.5 t -71.3 -39.16 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.314 0.578 . . . . 74.15 110.52 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.41 -33.44 60.96 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.234 1.013 . . . . 63.11 111.936 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.66 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 20.0 p -81.93 -17.25 47.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 122.014 -0.429 . . . . 62.13 111.204 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.39 14.57 55.5 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 114.574 0.589 . . . . 51.25 114.574 177.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.27 -55.15 13.16 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 117.713 0.757 . . . . 74.3 110.72 173.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.2 mp -97.28 131.01 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 N-CA-C 108.61 -0.885 . . . . 74.1 108.61 169.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.1 p -80.16 148.0 66.4 Favored Pre-proline 0 N--CA 1.484 1.234 0 C-N-CA 122.559 0.343 . . . . 71.43 111.02 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.478 ' HB3' HD12 ' A' ' 44' ' ' ILE . 90.5 Cg_exo -49.33 -36.05 36.86 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 123.705 2.937 . . . . 45.03 115.812 176.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -67.54 -37.07 82.17 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.459 0.304 . . . . 61.12 111.568 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 95' ' ' MET . 29.5 mt-30 -67.21 -56.45 9.84 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.967 0.507 . . . . 65.53 111.252 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.37 -27.5 33.2 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.571 0 C-N-CA 123.009 0.524 . . . . 64.11 112.147 -176.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.25 -36.32 74.39 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 123.48 0.712 . . . . 40.34 112.446 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.1 m -95.77 -4.88 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 112.669 0.618 . . . . 71.3 112.669 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 91' ' ' GLN . 94.5 mtp -75.42 127.5 33.25 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 122.79 0.436 . . . . 73.04 111.94 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 98' ' ' GLU . 89.1 m -68.04 159.48 30.73 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.596 1.159 . . . . 41.31 110.568 173.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.6 p -52.67 -40.1 62.54 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.904 0.882 . . . . 75.14 111.654 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.488 ' H ' HG22 ' A' ' 96' ' ' THR . 24.3 tt0 -63.9 -40.44 96.51 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.233 0.613 . . . . 73.52 111.989 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.471 ' HG2' ' HB ' ' A' ' 96' ' ' THR . 15.9 mm-40 -59.42 -39.68 84.28 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.461 0.648 . . . . 63.43 111.06 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.438 ' SD ' HD21 ' A' ' 78' ' ' LEU . 76.4 mtm . . . . . 0 CA--C 1.557 1.25 0 C-N-CA 124.413 1.085 . . . . 73.1 112.806 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 114.327 1.232 . . . . 72.33 114.327 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.3 t -58.31 -62.66 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 113.631 0.974 . . . . 72.22 113.631 -171.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -70.43 -30.42 67.27 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.322 0.249 . . . . 64.14 111.666 -172.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.9 -44.98 79.4 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.786 0.435 . . . . 62.24 110.267 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -61.31 -47.32 86.47 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.183 0.593 . . . . 74.33 111.25 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 85.9 m -59.43 -39.94 85.16 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.69 0.796 . . . . 34.2 111.763 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -63.09 -47.85 81.12 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.927 0.891 . . . . 73.21 110.156 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.26 -45.73 79.97 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.994 0.918 . . . . 53.42 111.486 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.428 ' HB3' HD13 ' A' ' 67' ' ' ILE . 59.1 mtm -74.27 -27.56 60.8 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.777 0.831 . . . . 62.05 113.233 -176.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 82.0 mt -65.0 -45.44 85.59 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 118.031 0.378 . . . . 72.44 110.573 172.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -68.0 -34.37 76.38 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 115.742 -0.663 . . . . 71.33 110.879 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.05 -31.67 69.41 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.799 0.84 . . . . 65.14 111.791 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.586 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -66.29 -26.0 67.12 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.786 0.834 . . . . 55.12 111.082 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.413 HD21 ' CZ ' ' A' ' 79' ' ' ARG . 66.5 mt -78.83 -36.05 43.09 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.601 0.761 . . . . 63.53 111.008 171.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -88.44 16.87 5.84 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.236 1.014 . . . . 74.4 112.447 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 t -63.75 -32.58 74.12 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.514 0.726 . . . . 74.23 111.478 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -154.01 169.79 22.65 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.092 0.957 . . . . 74.54 108.834 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -85.43 30.07 0.64 Allowed 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.872 0.693 . . . . 75.22 112.872 -174.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.04 -49.61 76.69 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.785 0.834 . . . . 72.52 111.882 173.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -66.28 -29.16 69.32 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.376 0.27 . . . . 74.04 111.515 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.1 t -73.99 -38.06 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 123.719 0.808 . . . . 52.51 110.842 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.5 -36.26 83.32 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.015 0.926 . . . . 30.34 111.532 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.454 HG21 ' HA ' ' A' ' 84' ' ' CYS . 78.1 mt -80.85 -25.73 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.485 0 C-N-CA 123.799 0.84 . . . . 75.34 110.836 174.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.12 -1.25 60.74 Favored Glycine 0 N--CA 1.483 1.767 0 N-CA-C 114.25 0.46 . . . . 73.11 114.25 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.28 111.16 20.18 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.356 0.662 . . . . 52.33 111.073 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -70.4 139.18 51.82 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-O 121.593 0.711 . . . . 70.05 110.33 175.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.2 p -73.23 -25.22 60.64 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 115.735 1.754 . . . . 75.54 115.735 -160.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.54 -48.26 78.24 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 113.799 1.037 . . . . 71.41 113.799 -167.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -29.54 67.21 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 118.557 0.617 . . . . 70.4 111.219 179.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.36 -35.8 81.6 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.33 0.652 . . . . 72.44 110.782 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.9 t -77.17 -34.37 56.35 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.841 0.856 . . . . 60.12 112.316 172.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.89 74.17 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 114.317 1.229 . . . . 63.12 114.317 -171.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -63.19 -33.1 74.75 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 120.934 0.397 . . . . 71.52 111.376 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' A' ' 93' ' ' ALA . 55.8 mt -74.46 -33.73 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.265 0.626 . . . . 72.24 111.652 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.01 -46.29 68.31 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.164 0.986 . . . . 71.51 111.96 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.9 pp20? -78.28 -35.75 47.57 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 116.18 -0.463 . . . . 71.23 112.106 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.39 -49.01 78.63 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 123.16 0.584 . . . . 63.15 112.081 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -70.72 -26.18 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.307 0 C-N-CA 123.78 0.832 . . . . 62.12 110.781 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.697 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 88.7 t80 -63.58 -39.57 94.74 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.143 0.577 . . . . 74.14 112.534 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 91.0 mtt180 -52.68 -46.41 67.24 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.043 0.937 . . . . 75.34 112.383 -173.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.42 -56.54 3.17 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.936 0.717 . . . . 75.53 112.936 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.541 HG12 ' HD2' ' A' ' 58' ' ' LYS . 29.1 m -113.01 -13.37 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 114.599 1.333 . . . . 70.02 114.599 -168.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.697 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -63.49 -5.64 12.78 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 115.107 0.803 . . . . 71.41 115.107 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -61.12 -5.8 1.67 Allowed 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 124.856 1.262 . . . . 63.11 113.205 166.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.4 p 67.4 46.9 1.34 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.935 2.094 . . . . 55.05 111.934 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -77.45 171.75 14.4 Favored 'General case' 0 CA--C 1.56 1.363 0 CA-C-N 113.913 -1.494 . . . . 74.04 110.998 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -61.01 -33.73 73.72 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.17 0.588 . . . . 74.34 111.125 173.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.541 ' HD2' HG12 ' A' ' 52' ' ' VAL . 18.8 ttmm -59.76 -42.4 93.17 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.729 0.812 . . . . 71.14 111.105 172.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -64.8 -43.3 93.61 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.745 0.818 . . . . 75.03 111.408 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.4 mmtp -54.84 -53.59 53.38 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.3 0.64 . . . . 70.33 111.068 178.103 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.32 -37.15 84.72 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.267 -0.879 . . . . 63.01 112.225 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.47 HH22 ' HE2' ' A' ' 100' ' ' MET . 10.5 tpt180 -70.89 -32.94 70.06 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.894 0.477 . . . . 74.0 111.766 -176.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.9 t -70.37 -43.61 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.864 0.866 . . . . 65.21 111.229 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 66.3 mtm180 -59.44 -42.13 91.21 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.276 0.56 . . . . 73.1 110.604 175.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.1 t -63.39 -51.31 66.37 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 115.073 -0.967 . . . . 71.14 111.786 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.53 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -65.06 -56.89 10.42 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.158 0.583 . . . . 74.45 111.565 -168.745 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.586 HG23 ' HB2' ' A' ' 23' ' ' ALA . 80.6 mt -56.24 -42.53 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 124.01 0.924 . . . . 63.03 111.514 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.9 t -61.84 -40.81 96.6 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.739 0.815 . . . . 52.45 111.945 176.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.572 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 17.4 m120 -75.83 -24.24 55.82 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.776 0.831 . . . . 72.3 112.92 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.609 HD22 ' HD3' ' A' ' 79' ' ' ARG . 87.0 mt -71.52 -31.41 67.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.163 0.585 . . . . 70.52 111.185 176.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -112.05 15.21 20.71 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.022 0.929 . . . . 73.41 111.885 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.572 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 8.6 t70 -65.15 137.34 57.57 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.536 0.734 . . . . 71.24 112.504 -170.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.09 -27.82 60.05 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.437 0.695 . . . . 73.02 112.453 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -84.97 -41.29 16.0 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.243 0.617 . . . . 74.04 110.364 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -132.84 77.82 67.69 Favored Pre-proline 0 CA--C 1.563 1.467 0 C-N-CA 123.088 0.555 . . . . 75.44 111.044 178.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -80.69 -20.24 8.05 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.651 2.234 . . . . 74.21 112.132 170.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.403 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 7.2 m-20 -61.28 -25.3 67.01 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.806 1.243 . . . . 60.44 112.301 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 55.8 tp -53.46 -58.37 7.38 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.871 0.868 . . . . 64.23 111.661 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.609 ' HD3' HD22 ' A' ' 70' ' ' LEU . 5.7 tpt180 -79.43 -31.0 42.51 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.817 0.673 . . . . 65.22 112.817 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.403 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 20.3 ttt180 -60.39 -31.84 70.75 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.079 0.551 . . . . 73.53 112.066 -178.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 90.0 m-20 -69.61 -30.62 68.4 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.139 0.576 . . . . 74.42 111.873 172.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.559 HG22 ' HB ' ' A' ' 87' ' ' ILE . 16.5 t -72.66 -35.87 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 122.577 0.351 . . . . 62.11 110.489 174.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.32 -36.12 82.1 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.782 0.833 . . . . 72.21 111.771 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.454 ' HA ' HG21 ' A' ' 33' ' ' ILE . 31.4 p -82.56 -16.32 48.99 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 122.765 0.426 . . . . 73.05 111.737 175.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.28 10.72 55.64 Favored Glycine 0 N--CA 1.476 1.336 0 N-CA-C 114.644 0.618 . . . . 72.51 114.644 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.91 -54.74 16.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.576 0.75 . . . . 64.34 111.477 174.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' A' ' 82' ' ' VAL . 65.2 mt -89.47 137.8 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.164 0.585 . . . . 72.35 109.79 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 p -76.87 152.59 82.74 Favored Pre-proline 0 N--CA 1.486 1.349 0 C-N-CA 122.967 0.507 . . . . 74.22 111.567 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -50.99 -32.48 38.61 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 123.25 2.633 . . . . 72.15 113.936 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -68.81 -48.0 64.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.716 0.406 . . . . 74.3 112.068 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -65.16 -47.09 78.23 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.051 0.389 . . . . 64.22 112.051 -173.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -65.35 -21.42 29.26 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.751 0 C-N-CA 122.555 0.342 . . . . 72.13 111.821 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.456 ' HB2' HG23 ' A' ' 44' ' ' ILE . . . -82.55 -33.55 28.1 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.627 0.771 . . . . 75.21 112.936 175.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.0 m -92.3 -31.69 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 113.593 0.96 . . . . 64.31 113.593 -174.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 67.4 mtm -61.81 128.26 35.35 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.962 0.727 . . . . 74.2 112.962 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.3 p -71.18 171.99 10.04 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.015 0.526 . . . . 70.14 111.192 173.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.0 m -56.03 -38.67 70.87 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 122.946 0.499 . . . . 71.23 111.937 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -62.0 -35.19 77.79 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.302 1.041 . . . . 64.21 111.314 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -77.75 -37.9 48.13 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.734 0.813 . . . . 63.12 111.158 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.47 ' HE2' HH22 ' A' ' 62' ' ' ARG . 39.2 mtm . . . . . 0 N--CA 1.485 1.301 0 C-N-CA 123.841 0.856 . . . . 75.13 112.606 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.064 0 N-CA-C 112.81 0.671 . . . . 73.3 112.81 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.46 -50.82 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.388 0.675 . . . . 63.14 111.411 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -55.98 -47.28 77.98 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.617 1.167 . . . . 74.44 112.231 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -67.14 -44.35 80.04 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.386 -0.824 . . . . 73.42 111.22 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -63.66 -39.43 94.32 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.661 0.784 . . . . 73.31 111.556 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -64.43 -44.08 92.29 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.951 0.901 . . . . 53.43 111.37 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HE ' ' HB2' ' A' ' 42' ' ' ALA . 49.0 ttt180 -60.28 -42.31 95.15 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.144 0.577 . . . . 74.22 111.283 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -56.95 -52.16 66.3 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 112.868 0.692 . . . . 73.43 112.868 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -72.65 -28.05 62.5 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 112.672 0.619 . . . . 71.1 112.672 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.17 -41.31 99.22 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 122.803 0.441 . . . . 62.41 111.022 167.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -66.27 -40.59 90.21 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.562 0.745 . . . . 61.31 110.624 176.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.28 -32.02 73.44 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.97 0.908 . . . . 64.12 112.155 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.43 -30.63 71.73 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.323 0.649 . . . . 74.34 111.674 173.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.667 ' HB3' HD21 ' A' ' 83' ' ' LEU . 84.5 mt -86.97 -29.22 22.2 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.919 0.887 . . . . 70.0 112.415 176.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -86.85 -19.4 29.0 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 113.567 0.951 . . . . 61.43 113.567 -177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -52.47 -47.53 66.45 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 114.185 1.18 . . . . 63.13 114.185 -171.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -97.43 2.3 50.22 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.307 0.643 . . . . 75.03 112.119 176.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 m80 62.03 19.98 11.23 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.914 1.286 . . . . 53.55 113.781 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -57.87 -26.23 61.83 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 113.254 0.835 . . . . 75.22 113.254 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -62.73 -23.36 67.14 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.592 0.757 . . . . 65.0 112.757 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.53 -44.61 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.22 0.608 . . . . 75.04 111.685 -176.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.15 -30.17 68.34 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.307 0.643 . . . . 72.51 111.902 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -88.04 -31.35 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 C-N-CA 123.688 0.795 . . . . 75.51 112.043 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.42 55.64 6.69 Favored Glycine 0 N--CA 1.473 1.137 0 CA-C-N 116.109 -0.496 . . . . 75.11 112.433 -171.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -118.92 127.41 53.46 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.022 0.929 . . . . 74.11 110.872 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.483 ' HB2' ' HG2' ' A' ' 39' ' ' ARG . 7.8 m-20 -78.79 97.97 6.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.421 0.288 . . . . 64.02 110.567 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.1 m -57.65 -26.21 61.3 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.665 0.786 . . . . 50.02 112.966 -177.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.16 -38.7 66.12 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.103 0.561 . . . . 73.2 112.513 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 17.0 ptp180 -76.6 -31.46 57.47 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-N 118.494 0.588 . . . . 72.22 110.468 177.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.48 -49.14 70.2 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.886 0.474 . . . . 73.21 110.38 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.9 p -64.72 -29.66 70.65 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.634 0.774 . . . . 62.5 112.028 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.485 ' HB2' ' HE ' ' A' ' 17' ' ' ARG . . . -70.48 -39.78 73.99 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.559 0.743 . . . . 74.34 111.792 175.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -70.97 -29.8 65.89 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.626 0.37 . . . . 74.25 111.041 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.1 mt -64.07 -44.59 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.589 0.755 . . . . 73.52 110.095 166.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -41.1 98.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.408 1.083 . . . . 64.4 111.167 -172.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -39.56 92.4 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 118.055 0.389 . . . . 72.31 111.587 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.1 m -67.76 -48.97 64.89 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.94 0.496 . . . . 45.12 111.619 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.05 -25.52 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.398 0 C-N-CA 122.811 0.444 . . . . 73.52 111.039 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -73.24 -37.03 66.49 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 122.941 0.496 . . . . 73.42 111.924 175.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -69.92 -36.67 75.54 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.944 0.498 . . . . 75.42 111.791 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.97 -54.19 4.24 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-O 121.67 0.747 . . . . 75.34 111.83 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.664 HG21 ' HG2' ' A' ' 62' ' ' ARG . 6.3 t -110.63 -8.45 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 C-N-CA 124.4 1.08 . . . . 71.54 112.192 -169.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.11 19.67 0.12 Allowed Glycine 0 N--CA 1.478 1.445 0 N-CA-C 118.688 2.235 . . . . 54.33 118.688 -166.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -65.98 90.81 0.14 Allowed 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 118.682 1.241 . . . . 64.43 108.435 157.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.421 ' O ' ' HE3' ' A' ' 60' ' ' LYS . 8.2 t -55.57 -23.43 26.98 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.121 0.969 . . . . 75.52 113.571 -167.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.95 115.67 5.61 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.226 0.61 . . . . 74.41 110.98 169.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.2 ttt 67.17 -77.1 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 125.006 1.322 . . . . 73.01 114.276 169.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -58.16 -48.91 78.82 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.536 1.134 . . . . 71.34 113.266 -167.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.474 ' O ' HG23 ' A' ' 63' ' ' VAL . 59.1 t80 -59.75 -46.27 89.67 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.482 0.713 . . . . 75.41 112.465 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HE3' ' O ' ' A' ' 55' ' ' THR . 95.5 mttt -55.8 -46.23 78.06 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.899 0.88 . . . . 74.42 112.145 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -72.41 -33.3 67.05 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.363 0.665 . . . . 51.45 111.499 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.664 ' HG2' HG21 ' A' ' 52' ' ' VAL . 27.5 tpt180 -75.54 -26.82 58.34 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.095 0.558 . . . . 73.43 112.171 -177.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 59' ' ' TYR . 95.3 t -60.91 -40.65 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 109.689 -0.486 . . . . 71.33 109.689 170.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -65.49 -31.09 71.98 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.846 0.458 . . . . 65.22 111.482 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.1 m -60.47 -34.36 73.91 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 122.762 0.425 . . . . 65.02 111.205 174.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -73.92 -54.6 7.58 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.232 0.613 . . . . 71.34 110.751 175.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.1 mt -55.2 -57.86 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.505 1.122 . . . . 72.22 112.29 -176.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.2 t -56.02 -41.47 75.0 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.436 1.094 . . . . 72.11 112.211 -175.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -75.95 -30.01 58.51 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.521 0.728 . . . . 54.44 112.823 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.89 -46.13 72.5 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 120.8 0.333 . . . . 64.11 110.227 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -86.5 4.32 40.36 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.489 1.115 . . . . 54.42 112.139 -177.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -73.31 152.32 40.98 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.647 0.779 . . . . 74.21 112.866 -169.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.1 -21.58 39.8 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.951 0.9 . . . . 61.21 113.027 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -68.39 -37.29 80.24 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 123.01 0.524 . . . . 74.32 110.664 176.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -133.1 86.1 43.37 Favored Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 123.551 0.74 . . . . 74.35 109.316 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.22 -34.07 37.46 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.755 2.303 . . . . 52.44 111.859 176.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.98 -15.32 62.06 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.963 -1.017 . . . . 73.02 113.244 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.8 tp -56.77 -49.27 75.81 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 112.752 0.649 . . . . 60.3 112.752 -175.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -67.15 -36.83 82.68 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.839 0.456 . . . . 65.32 111.403 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -65.31 -39.89 93.07 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.946 1.298 . . . . 73.33 112.347 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.603 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 26.7 p30 -76.83 -25.78 53.58 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.294 0.637 . . . . 72.45 112.23 -176.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.3 -39.22 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-O 121.071 0.462 . . . . 74.54 110.01 172.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 24' ' ' LEU . 84.6 mt -66.08 -38.37 88.11 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.665 0.786 . . . . 71.42 112.221 176.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.603 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 17.4 p -81.63 -12.52 58.68 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 122.652 0.381 . . . . 32.44 111.752 176.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.26 17.27 69.57 Favored Glycine 0 C--N 1.352 1.451 0 N-CA-C 114.512 0.565 . . . . 72.15 114.512 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.17 -54.54 24.08 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.103 0.561 . . . . 71.24 110.394 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.5 mp -100.7 120.72 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 107.318 -1.364 . . . . 71.44 107.318 167.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.3 p -71.97 152.78 92.95 Favored Pre-proline 0 N--CA 1.482 1.166 0 C-N-CA 122.342 0.257 . . . . 54.41 111.159 -175.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -52.12 -29.82 38.48 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 123.253 2.635 . . . . 72.12 114.203 173.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -47.93 69.82 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.408 0.683 . . . . 70.22 110.016 175.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -64.09 -54.96 25.81 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.306 0.642 . . . . 72.41 111.77 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.62 -23.5 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 123.422 0.689 . . . . 74.04 112.493 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.21 -23.78 51.37 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.236 0.828 . . . . 55.23 113.236 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.1 m -110.95 -14.12 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 112.691 0.626 . . . . 55.44 112.691 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 80.9 mtp -58.73 139.98 55.44 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 123.698 0.799 . . . . 73.41 112.064 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.4 p -73.14 169.46 16.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.936 -0.478 . . . . 55.24 111.241 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.2 p -59.81 -35.5 74.83 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.803 0.441 . . . . 70.22 111.506 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.34 -39.55 81.85 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.402 0.681 . . . . 72.12 112.124 175.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.29 -41.41 96.89 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.6 0.76 . . . . 73.33 111.777 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 N--CA 1.485 1.282 0 C-N-CA 123.603 0.761 . . . . 71.13 112.555 -178.477 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 N-CA-C 111.632 0.234 . . . . 74.54 111.632 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.98 -61.65 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 123.757 0.823 . . . . 72.21 111.893 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -72.93 -31.67 64.77 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.435 0.294 . . . . 73.42 111.183 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -63.35 -35.55 80.77 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 122.492 0.317 . . . . 73.0 111.069 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -57.77 -45.28 86.2 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.135 0.974 . . . . 75.32 111.13 172.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.812 ' SG ' HG21 ' A' ' 63' ' ' VAL . 43.0 t -61.68 -46.23 90.59 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.165 -0.925 . . . . 74.43 111.998 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -56.45 -47.98 78.01 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.569 0.748 . . . . 75.15 111.376 173.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.26 -37.44 80.42 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.17 0.588 . . . . 75.12 112.413 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 75.4 mtm -72.11 -47.05 54.12 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.868 0.467 . . . . 74.11 111.668 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 93.1 mt -60.59 -40.78 93.0 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 122.767 0.427 . . . . 74.42 111.224 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.7 m -64.89 -39.21 93.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.956 0.903 . . . . 73.24 110.901 176.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -65.4 -34.4 78.22 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.625 0.77 . . . . 52.32 111.778 175.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.581 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -65.45 -30.21 70.97 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.904 0.882 . . . . 73.42 112.01 173.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 20' ' ' LEU . 57.2 mt -79.97 -38.41 32.29 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.927 0.491 . . . . 74.33 111.782 177.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 21.2 pt20 -99.23 10.25 41.81 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.249 0.62 . . . . 71.23 112.302 -177.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 t -53.94 -42.72 69.17 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 123.669 0.788 . . . . 55.24 112.769 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -86.38 -24.49 25.75 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 124.073 0.949 . . . . 64.32 110.46 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.6 m80 68.61 6.21 5.33 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 125.88 1.672 . . . . 62.35 113.361 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.15 -26.14 68.4 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.776 0.83 . . . . 64.11 110.817 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.468 ' HD2' HD23 ' A' ' 83' ' ' LEU . 4.0 t-80 -58.68 -38.58 78.54 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 124.72 1.208 . . . . 71.21 110.756 175.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.38 -39.35 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.817 0.847 . . . . 73.33 110.407 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.04 91.78 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.22 1.008 . . . . 65.02 112.75 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 83' ' ' LEU . 51.5 mt -77.57 -24.62 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 C-N-CA 123.336 0.654 . . . . 75.01 111.193 175.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.25 22.78 36.63 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 116.764 -0.198 . . . . 73.01 113.084 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.19 125.59 29.58 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.399 0.68 . . . . 74.32 110.424 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.481 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 4.2 m-20 -78.22 97.4 5.51 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.756 0.822 . . . . 74.23 110.879 -175.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.4 p -65.29 -48.95 71.37 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 113.913 1.079 . . . . 53.24 113.913 -170.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.36 -26.19 63.61 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.129 0.418 . . . . 74.2 112.129 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -62.52 -51.36 67.72 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.645 0.778 . . . . 51.04 111.291 171.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 44.6 mt -60.48 -51.55 68.99 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.913 0.485 . . . . 73.34 110.445 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 36.7 t -57.79 -41.29 81.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.542 1.137 . . . . 34.11 112.363 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.53 92.9 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.826 0.851 . . . . 63.54 112.305 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -77.19 -26.14 52.52 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.392 -0.822 . . . . 65.15 111.736 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 98.9 mt -69.15 -37.93 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 122.664 0.386 . . . . 74.22 110.108 170.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 41' ' ' SER . 7.3 mm-40 -55.37 -29.88 59.26 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.436 1.094 . . . . 64.34 112.955 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -66.97 -49.32 65.77 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.432 0.693 . . . . 74.25 111.55 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.42 -43.88 38.38 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.676 0.79 . . . . 64.22 112.741 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.7 tt -67.73 -27.26 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 123.319 0.648 . . . . 74.05 111.656 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 41.5 t80 -66.06 -24.24 66.69 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.111 0.964 . . . . 73.03 112.348 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -67.96 -48.24 66.39 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.107 0.563 . . . . 73.43 111.998 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -88.71 -55.66 3.62 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 121.686 0.755 . . . . 72.21 111.367 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.653 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 42.6 t -87.79 -10.43 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.067 0.947 . . . . 64.34 113.007 -170.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.51 -2.26 0.43 Allowed Glycine 0 N--CA 1.487 2.063 0 N-CA-C 116.459 1.344 . . . . 75.31 116.459 -174.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -53.15 96.37 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 123.984 0.914 . . . . 64.24 110.296 158.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.3 p -87.15 20.18 2.83 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 113.665 0.987 . . . . 73.22 113.665 -171.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.77 -81.87 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 122.796 0.438 . . . . 74.21 110.689 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.2 ttt -126.81 -39.55 1.96 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.065 0.546 . . . . 55.24 110.632 175.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.653 ' HE3' ' HA ' ' A' ' 52' ' ' VAL . 3.7 tmmm? -56.63 -36.13 69.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.757 0.823 . . . . 74.13 112.882 -170.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.556 ' HA ' HG12 ' A' ' 52' ' ' VAL . 61.9 t80 -65.82 -35.01 79.47 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 118.287 0.494 . . . . 73.1 111.877 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -44.02 49.33 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.295 1.038 . . . . 73.02 110.466 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -77.24 -30.9 54.73 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.617 1.167 . . . . 74.4 112.232 -172.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.505 ' HE ' ' HA ' ' A' ' 62' ' ' ARG . 0.8 OUTLIER -73.83 -44.05 56.88 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.915 0.486 . . . . 73.41 111.05 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.812 HG21 ' SG ' ' A' ' 16' ' ' CYS . 70.2 t -65.95 -43.22 92.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.225 -0.898 . . . . 71.31 112.574 -177.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -61.47 -33.43 73.74 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 118.572 0.624 . . . . 71.55 111.818 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.5 t -75.37 -31.28 60.46 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.697 0.799 . . . . 64.34 111.056 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.402 ' NH2' HG13 ' A' ' 92' ' ' ILE . 8.9 tpt180 -67.58 -37.24 82.32 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.702 0.801 . . . . 71.13 111.526 176.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.581 HG23 ' HB2' ' A' ' 23' ' ' ALA . 10.6 mm -52.88 -45.89 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 124.143 0.977 . . . . 54.24 112.124 176.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 97.3 p -60.73 -32.9 72.16 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.259 0.624 . . . . 51.34 112.067 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -73.35 -31.36 63.91 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.935 0.894 . . . . 75.0 112.02 175.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.567 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 88.9 mt -85.47 -8.77 58.19 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.407 0.683 . . . . 73.13 112.137 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HD2' HG22 ' A' ' 67' ' ' ILE . 19.0 ptmt -121.87 14.29 10.77 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.152 0.981 . . . . 73.41 110.751 174.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.53 123.64 20.59 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.779 0.831 . . . . 75.01 112.284 -169.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.87 1.21 50.75 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.814 0.846 . . . . 74.24 113.231 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -96.59 -51.85 4.16 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.207 0.603 . . . . 64.12 109.456 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -98.67 101.76 12.83 Favored Pre-proline 0 N--CA 1.481 1.106 0 N-CA-C 108.685 -0.857 . . . . 72.43 108.685 171.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -79.33 -26.49 4.98 Favored 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.174 1.916 . . . . 75.5 112.182 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.583 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 13.9 t70 -75.58 -30.67 59.71 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.936 0.895 . . . . 54.32 112.633 -165.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.4 tp -55.75 -55.44 32.3 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.43 0.692 . . . . 70.53 111.048 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 -75.6 -29.74 59.35 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.857 0.863 . . . . 74.32 112.788 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.583 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 36.6 ttt180 -59.01 -43.58 91.58 Favored 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 124.143 0.977 . . . . 75.14 112.252 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -70.96 -25.06 62.56 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 115.739 -0.664 . . . . 62.31 111.499 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.5 t -79.98 -26.43 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.671 0 C-N-CA 122.914 0.486 . . . . 71.32 110.933 172.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 80' ' ' ARG . 89.0 mt -65.36 -30.55 71.4 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 124.03 0.932 . . . . 71.35 111.577 173.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.7 p -102.44 -16.48 16.17 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.151 0.581 . . . . 72.03 112.011 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.4 27.55 54.74 Favored Glycine 0 CA--C 1.544 1.874 0 N-CA-C 114.075 0.39 . . . . 55.05 114.075 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.44 -8.97 59.75 Favored 'General case' 0 CA--C 1.563 1.458 0 C-N-CA 124.486 1.115 . . . . 64.04 113.645 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.4 mt -107.7 135.99 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 C-N-CA 123.275 0.63 . . . . 61.5 110.44 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.438 ' OG1' ' HB2' ' A' ' 91' ' ' GLN . 43.1 p -71.46 142.88 87.06 Favored Pre-proline 0 N--CA 1.484 1.26 0 C-N-CA 123.15 0.58 . . . . 53.13 110.625 176.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.47 -24.93 63.86 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 123.377 2.718 . . . . 73.31 114.658 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -73.63 -46.89 44.15 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.12 0.168 . . . . 74.01 110.806 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.438 ' HB2' ' OG1' ' A' ' 88' ' ' THR . 0.0 OUTLIER -58.27 -47.85 82.32 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.848 0.859 . . . . 73.44 111.208 -175.145 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.402 HG13 ' NH2' ' A' ' 66' ' ' ARG . 10.3 tp -63.37 -38.65 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.512 0 C-N-CA 122.876 0.47 . . . . 75.13 111.235 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.31 -31.39 58.16 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.273 0.842 . . . . 63.13 113.273 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.6 m -82.29 -19.58 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 112.376 0.51 . . . . 74.43 112.376 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.7 mtm -75.86 125.84 29.86 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 120.677 0.275 . . . . 64.25 111.619 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.9 p -82.92 179.29 7.81 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.189 0.996 . . . . 74.25 111.567 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -52.65 -34.42 51.4 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 123.515 0.726 . . . . 63.34 112.578 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.95 -54.43 44.89 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.591 1.156 . . . . 72.2 112.055 172.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -78.16 -29.3 48.56 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 115.609 -0.723 . . . . 72.1 112.877 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.484 1.24 0 C-N-CA 123.253 0.621 . . . . 65.33 111.539 -178.69 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.7 p . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.463 0.173 . . . . 71.31 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -109.86 145.04 37.46 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.77 0.828 . . . . 75.15 110.538 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 3' ' ' MET . 1.2 mpt? -85.77 130.75 49.58 Favored Pre-proline 0 CA--C 1.555 1.161 0 CA-C-N 115.534 -0.757 . . . . 74.24 111.029 -175.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -63.05 176.67 1.79 Allowed 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 122.735 2.29 . . . . 51.44 112.641 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.49 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 24.8 m -60.1 116.79 18.88 Favored Pre-proline 0 CA--C 1.569 1.686 0 CA-C-O 120.679 0.276 . . . . 72.32 110.827 177.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 5' ' ' VAL . 9.9 Cg_exo -73.26 168.27 25.18 Favored 'Trans proline' 0 C--N 1.369 1.634 0 C-N-CA 123.277 2.652 . . . . 72.0 113.847 -170.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.1 m -64.46 162.2 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 114.746 -1.115 . . . . 74.21 111.669 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' A' ' 14' ' ' ASN . 63.5 p -65.65 -26.98 68.04 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 115.651 -0.704 . . . . 73.31 112.608 -175.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t 68.09 -71.81 0.1 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 125.563 1.545 . . . . 63.23 112.274 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -159.13 171.4 20.02 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.812 1.245 . . . . 73.03 108.962 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.55 -3.74 1.61 Allowed 'General case' 0 CA--C 1.561 1.377 0 N-CA-C 113.816 1.043 . . . . 74.45 113.816 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -81.57 -60.89 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 118.408 0.549 . . . . 40.03 110.332 168.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -66.99 -44.02 81.47 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.097 0.559 . . . . 72.45 112.233 -172.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.489 ' HB2' ' HB ' ' A' ' 8' ' ' THR . 63.4 t30 -65.76 -33.69 76.45 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.84 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 84.7 tttt -68.38 -43.36 77.5 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.354 0.662 . . . . 50.32 111.168 176.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.4 m -62.18 -44.54 96.36 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.143 0.577 . . . . 63.05 111.343 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.96 -46.44 89.26 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.494 1.117 . . . . 75.15 111.146 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.488 ' HG2' ' HA ' ' A' ' 15' ' ' LYS . 7.6 pt-20 -72.01 -30.59 65.37 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 112.257 0.466 . . . . 72.42 112.257 -177.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.456 ' HB3' HD11 ' A' ' 67' ' ' ILE . 67.8 mtm -71.46 -33.2 69.12 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.697 0.399 . . . . 74.41 111.473 175.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.57 -36.05 80.18 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 122.583 0.353 . . . . 72.15 110.716 170.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -63.76 -42.97 97.71 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.212 0.605 . . . . 72.42 110.607 172.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.53 -30.78 70.52 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.362 1.065 . . . . 74.32 111.647 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -63.93 -31.52 72.73 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.666 0.786 . . . . 34.12 111.788 171.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -86.34 -26.88 24.63 Favored 'General case' 0 CA--C 1.56 1.354 0 CA-C-N 115.319 -0.855 . . . . 51.44 112.171 174.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -89.96 -19.2 24.78 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 113.117 0.784 . . . . 73.54 113.117 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.444 HG21 ' HE2' ' A' ' 71' ' ' LYS . 12.9 t -59.93 -19.72 53.41 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.333 0.653 . . . . 63.14 112.089 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -137.43 150.67 47.8 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.682 1.193 . . . . 70.2 108.656 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -85.55 27.07 0.86 Allowed 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.321 0.648 . . . . 71.1 112.053 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -57.48 -46.21 83.98 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.762 1.225 . . . . 71.53 111.677 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -63.53 -25.58 68.32 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 115.27 -0.877 . . . . 53.44 112.083 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -73.39 -42.17 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.369 0.668 . . . . 73.15 110.614 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.57 97.64 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.441 0.696 . . . . 62.23 111.675 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.666 HD11 ' HD3' ' A' ' 80' ' ' ARG . 62.0 mt -76.45 -23.09 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 C-N-CA 123.605 0.762 . . . . 62.13 111.281 174.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.42 26.29 61.68 Favored Glycine 0 CA--C 1.536 1.404 0 CA-C-N 116.492 -0.322 . . . . 54.31 113.796 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -102.47 130.56 49.3 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.153 0.981 . . . . 75.33 111.08 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -79.02 111.81 15.6 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 121.132 0.492 . . . . 73.11 111.071 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.7 p -69.52 -30.6 68.48 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 114.23 1.196 . . . . 54.05 114.23 -168.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -31.11 71.67 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 113.558 0.947 . . . . 65.11 113.558 -173.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -82.45 -38.41 24.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.063 0.545 . . . . 64.12 110.984 174.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.58 HD11 ' HB1' ' A' ' 35' ' ' ALA . 93.4 mt -60.43 -43.2 97.01 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.708 0.803 . . . . 63.14 111.814 -176.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.4 p -57.39 -46.66 83.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.0 0.92 . . . . 72.42 111.382 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.36 -31.71 71.3 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.367 1.067 . . . . 53.43 112.72 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -67.92 -45.12 75.25 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.256 0.622 . . . . 73.54 111.152 175.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.2 -37.39 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.006 0.522 . . . . 52.22 110.322 173.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.39 -47.08 85.72 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 124.341 1.056 . . . . 75.42 110.763 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.77 -34.63 77.18 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 118.194 0.452 . . . . 64.14 111.711 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.4 m -65.48 -41.5 93.25 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.396 0.678 . . . . 74.44 111.999 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.0 tt -83.49 -25.39 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.445 0 C-N-CA 122.677 0.391 . . . . 74.43 111.155 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -61.2 -27.16 68.22 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 124.713 1.205 . . . . 64.23 112.376 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -60.0 -43.6 95.1 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.149 0.58 . . . . 60.41 111.38 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -90.8 -55.76 3.44 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.757 0.789 . . . . 73.45 111.626 173.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.565 HG12 ' HD1' ' A' ' 59' ' ' TYR . 76.8 t -81.99 -19.47 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 N-CA-C 113.81 1.041 . . . . 73.13 113.81 -167.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.67 -11.42 10.49 Favored Glycine 0 N--CA 1.48 1.632 0 N-CA-C 116.778 1.471 . . . . 44.05 116.778 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -66.08 110.77 3.08 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 121.353 0.596 . . . . 62.25 110.332 169.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.7 p -79.33 14.2 1.63 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 114.163 1.172 . . . . 42.43 114.163 -166.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.95 -50.2 37.13 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.035 0.934 . . . . 70.14 112.631 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.5 -67.03 0.33 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.498 0.319 . . . . 73.5 111.594 -177.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -60.72 -34.13 73.95 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.322 0.86 . . . . 73.54 113.322 -170.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.565 ' HD1' HG12 ' A' ' 52' ' ' VAL . 23.4 t80 -62.0 -31.71 72.11 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 118.421 0.555 . . . . 71.32 112.202 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -71.94 -48.98 41.41 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 122.92 0.488 . . . . 74.43 111.558 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -76.42 -45.0 33.46 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.438 0.695 . . . . 73.22 112.655 -173.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -57.13 -40.57 77.41 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.027 0.931 . . . . 72.03 112.786 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 67' ' ' ILE . 77.2 t -62.97 -45.0 99.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 123.65 0.594 . . . . 54.3 110.878 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -58.78 -47.54 84.34 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.246 0.546 . . . . 63.25 111.191 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.7 t -63.93 -35.4 80.54 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.154 0.981 . . . . 61.23 112.172 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -68.46 -45.72 71.69 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.01 0.924 . . . . 64.24 110.837 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 23' ' ' ALA . 93.7 mt -53.14 -44.98 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 124.586 1.154 . . . . 70.43 110.941 175.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.6 t -57.15 -49.1 76.98 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.289 -0.869 . . . . 74.34 111.817 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -65.74 -29.83 70.41 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.839 0.856 . . . . 73.33 112.755 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.435 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 89.9 mt -76.26 -19.16 58.58 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.872 0.693 . . . . 73.41 112.872 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HE2' HG21 ' A' ' 26' ' ' THR . 19.3 ptpt -121.37 8.28 10.21 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.3 0.64 . . . . 74.01 112.569 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.81 141.14 51.36 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 113.136 0.791 . . . . 74.31 113.136 -169.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.13 -22.34 24.15 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.651 0.78 . . . . 70.41 112.923 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.81 -23.12 39.44 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.95 0.5 . . . . 45.45 110.818 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.47 ' ND2' ' HB2' ' A' ' 78' ' ' LEU . 64.3 t30 -138.35 75.86 38.56 Favored Pre-proline 0 CA--C 1.562 1.424 0 C-N-CA 122.754 0.421 . . . . 63.32 110.625 169.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -80.31 -15.86 11.15 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.862 2.375 . . . . 62.11 113.627 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.66 -17.35 57.8 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 122.852 0.461 . . . . 71.34 111.93 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HB2' ' ND2' ' A' ' 75' ' ' ASN . 42.1 tp -55.69 -51.34 67.6 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.792 0.437 . . . . 60.35 111.798 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -60.67 -38.04 83.6 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 115.877 -0.601 . . . . 73.12 111.544 174.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.666 ' HD3' HD11 ' A' ' 33' ' ' ILE . 9.9 mmt85 -56.07 -46.85 78.84 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.662 0.785 . . . . 62.11 111.839 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -62.47 -39.81 94.61 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.329 0.652 . . . . 65.4 111.968 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.5 t -71.21 -49.51 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 C-N-CA 122.728 0.411 . . . . 75.25 111.543 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 70.6 mt -62.79 -39.11 93.22 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.469 1.108 . . . . 72.03 112.282 -177.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 p -83.49 -5.02 59.04 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.027 0.531 . . . . 51.15 112.392 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.61 16.83 78.66 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 114.73 0.652 . . . . 73.44 114.73 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.66 -46.94 74.06 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.327 0.651 . . . . 74.23 110.847 174.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 57.0 mt -108.9 119.71 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 108.353 -0.98 . . . . 72.32 108.353 169.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 74.9 p -73.41 149.81 89.03 Favored Pre-proline 0 N--CA 1.484 1.236 0 C-N-CA 122.923 0.489 . . . . 75.13 111.83 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -42.91 -38.82 7.24 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 124.407 3.404 . . . . 43.33 115.311 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.99 -47.35 83.49 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.629 0.771 . . . . 74.11 111.895 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -39.51 61.75 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.65 0.78 . . . . 62.1 112.357 -175.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 tp -72.06 -27.82 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 120.86 0.362 . . . . 42.12 111.332 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.32 -46.29 50.29 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.089 0.556 . . . . 72.54 111.606 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.9 m -77.02 -16.28 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 122.9 0.48 . . . . 74.31 112.067 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.534 ' SD ' ' HG2' ' A' ' 100' ' ' MET . 41.4 ttm -67.88 136.41 54.0 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.821 0.449 . . . . 51.31 110.016 171.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.1 p -75.0 155.01 37.8 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.567 0.347 . . . . 72.51 111.184 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -57.32 -32.55 66.81 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.915 0.886 . . . . 75.44 112.575 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -59.43 -51.38 70.15 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.846 0.859 . . . . 75.53 111.416 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.58 -36.99 79.49 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.543 -0.753 . . . . 73.51 111.589 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.534 ' HG2' ' SD ' ' A' ' 95' ' ' MET . 41.5 mtm -62.52 -40.34 96.46 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.805 0.442 . . . . 73.41 110.851 175.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.33 -30.24 67.15 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.536 0.734 . . . . 73.04 112.258 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.2 t -67.82 119.12 12.0 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.994 0.518 . . . . 44.43 111.455 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.61 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 5.0 p-10 -65.62 -25.65 67.48 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.561 0.578 . . . . 74.53 112.561 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -75.55 -51.15 13.58 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 122.991 0.516 . . . . 73.33 111.036 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 66.0 mt -68.46 -30.01 68.78 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 114.419 1.266 . . . . 75.11 114.419 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.61 ' HE3' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -71.65 -8.59 55.02 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 113.171 0.804 . . . . 72.42 113.171 175.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.498 ' HG3' ' HD2' ' A' ' 106' ' ' LYS . 45.3 mt-10 -116.54 -5.66 11.68 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.96 0.904 . . . . 70.23 112.332 171.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 49.6 mm -101.09 93.97 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 C-N-CA 123.086 0.554 . . . . 74.01 109.583 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.4 mtp85 -98.31 -59.65 1.71 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.43 0.692 . . . . 71.54 111.847 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -122.51 10.35 9.77 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.82 0.448 . . . . 71.12 110.819 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.07 102.57 9.4 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.335 0.654 . . . . 71.32 110.786 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 4.2 tpt 66.75 11.86 8.49 Favored 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 124.839 1.255 . . . . 63.03 112.439 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.492 1.645 0 C-N-CA 123.958 0.903 . . . . 71.25 112.418 -175.532 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 120.443 0.163 . . . . 74.23 111.353 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -69.28 98.6 1.07 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.12 0.568 . . . . 72.51 111.115 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.1 ttm -86.19 118.38 70.3 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 123.099 0.56 . . . . 53.41 109.602 173.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -73.66 -164.99 0.23 Allowed 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.836 2.357 . . . . 63.03 112.981 -176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.87 119.78 57.81 Favored Pre-proline 0 CA--C 1.563 1.479 0 C-N-CA 122.889 0.476 . . . . 75.21 111.646 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.62 161.3 34.12 Favored 'Trans proline' 0 C--N 1.366 1.486 0 C-N-CA 122.095 1.863 . . . . 64.15 110.671 167.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 m -64.72 147.95 12.2 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.125 0 CA-C-O 121.012 0.434 . . . . 60.32 111.161 174.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.475 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 65.6 p -70.73 109.51 4.99 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.069 0.547 . . . . 70.02 110.234 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t -54.63 -41.84 70.51 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 124.204 1.002 . . . . 71.0 113.075 -173.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -138.06 169.19 18.22 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.56 0.744 . . . . 72.5 109.762 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.92 -18.96 38.22 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.211 1.005 . . . . 53.53 112.45 173.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.2 t -53.53 -61.05 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 124.054 0.942 . . . . 64.32 111.792 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 53.1 ttt180 -72.56 -34.68 67.65 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.908 0.483 . . . . 75.13 111.314 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.48 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 22.5 t-20 -60.75 -48.53 81.37 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.096 0.558 . . . . 74.01 111.506 -177.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -57.78 -35.73 71.19 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.736 0.814 . . . . 72.13 111.748 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.4 m -59.87 -53.24 60.26 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.381 0.672 . . . . 75.11 110.993 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -55.34 -43.24 74.78 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.194 0.998 . . . . 62.12 111.954 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 13.3 mm-40 -60.82 -47.22 87.33 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.861 0.864 . . . . 71.21 112.429 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.4 mtm -70.53 -30.98 67.87 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.404 0.682 . . . . 64.45 111.976 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.73 -42.2 91.33 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.929 0.491 . . . . 74.42 111.081 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -66.4 -39.94 89.33 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.034 0.533 . . . . 74.31 110.949 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.8 78.43 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.984 0.914 . . . . 70.35 111.62 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -65.6 -39.06 91.14 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.531 0.732 . . . . 65.33 111.238 173.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.6 mt -74.26 -15.82 60.97 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.386 0.675 . . . . 74.11 112.329 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -115.98 14.41 16.11 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.043 0.937 . . . . 75.32 112.569 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 t -62.89 -40.85 98.81 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.593 0.59 . . . . 51.42 112.593 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -109.94 8.39 24.21 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.351 0.66 . . . . 73.1 110.753 169.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.4 m80 59.05 36.69 24.38 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.178 1.391 . . . . 74.43 111.487 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.91 -32.76 69.84 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.0 1.32 . . . . 61.1 113.105 -171.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -63.31 -23.96 67.65 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.322 0.649 . . . . 60.33 112.235 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.31 -51.81 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.678 0.791 . . . . 74.32 111.29 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.96 -33.91 69.37 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.657 0.783 . . . . 74.03 112.387 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.509 HG21 ' HA ' ' A' ' 84' ' ' CYS . 59.5 mt -84.09 -32.56 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 C-N-CA 123.415 0.686 . . . . 61.12 111.283 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.52 28.63 29.3 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 114.238 0.455 . . . . 34.31 114.238 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.69 147.07 37.56 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.806 0.842 . . . . 63.41 110.898 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -83.2 114.88 21.66 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.638 0.375 . . . . 73.53 110.48 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.0 p -73.43 -26.44 60.95 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.781 0.832 . . . . 63.1 112.893 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.94 -40.88 78.71 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.864 0.866 . . . . 60.43 112.132 -171.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -66.53 -34.25 77.48 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 115.683 -0.689 . . . . 72.43 111.246 174.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.78 -43.44 68.72 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.373 0.669 . . . . 65.44 111.336 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.3 p -65.81 -30.44 71.07 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.064 0.946 . . . . 64.11 111.87 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.58 -35.32 77.21 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.411 0.685 . . . . 74.24 111.582 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -74.69 -32.41 62.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.112 0.565 . . . . 70.45 111.624 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.95 -43.73 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 109.535 -0.542 . . . . 73.2 109.535 170.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG3' HH21 ' A' ' 13' ' ' ARG . 11.2 tp10 -57.87 -50.37 73.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.628 1.171 . . . . 72.34 111.788 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.96 -40.13 96.75 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 111.967 0.358 . . . . 75.11 111.967 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.7 m -65.9 -42.73 89.83 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.233 0.613 . . . . 73.03 112.482 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.2 tt -73.78 -32.44 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.418 0 C-N-CA 122.425 0.29 . . . . 71.2 110.825 175.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.65 -25.93 68.17 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.131 0.972 . . . . 71.42 113.133 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -56.59 -66.12 0.49 Allowed 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.048 0.539 . . . . 73.33 111.676 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -90.41 -44.17 9.81 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.637 0.775 . . . . 51.11 112.182 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.2 t -92.24 -12.81 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 123.691 0.796 . . . . 70.01 112.232 -168.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.7 30.34 1.05 Allowed Glycine 0 CA--C 1.549 2.182 0 N-CA-C 116.24 1.256 . . . . 64.52 116.24 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -77.53 -5.98 52.0 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.701 1.2 . . . . 74.5 111.989 169.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.4 p 64.98 24.49 12.65 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 126.313 1.845 . . . . 73.45 113.491 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.22 168.49 18.14 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 123.83 0.852 . . . . 74.43 110.309 170.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.1 ptm -55.39 -26.02 38.98 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.595 0.758 . . . . 75.23 112.581 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -55.63 -50.68 69.53 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.315 0.646 . . . . 72.42 110.98 171.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -65.62 -46.09 80.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.209 1.004 . . . . 74.23 112.025 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -60.9 -51.36 69.59 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.449 0.7 . . . . 74.31 111.763 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -73.26 -27.35 61.52 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.556 -0.747 . . . . 74.31 111.879 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 1.3 tpm_? -68.26 -44.71 75.01 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 117.686 0.221 . . . . 71.42 110.43 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.4 -48.74 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.359 0.664 . . . . 74.12 110.417 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HA ' HD12 ' A' ' 67' ' ' ILE . 47.8 mtm-85 -62.61 -34.19 76.52 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.059 0.544 . . . . 63.4 112.072 177.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.7 t -65.87 -42.51 90.25 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.268 0.627 . . . . 51.42 110.94 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.585 ' NH1' ' SD ' ' A' ' 100' ' ' MET . 33.6 mmt180 -54.89 -55.36 31.39 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.074 0.55 . . . . 52.14 109.625 175.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 64' ' ' ARG . 57.4 mt -52.45 -45.97 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 C-N-CA 124.593 1.157 . . . . 71.31 111.723 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 t -61.68 -42.51 99.02 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.947 0.899 . . . . 70.14 111.9 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -72.61 -34.33 67.3 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.279 0.632 . . . . 63.53 111.607 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 66' ' ' ARG . 96.0 mt -64.01 -41.08 97.59 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.599 0.76 . . . . 63.42 111.167 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -101.77 13.93 33.44 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.522 0.729 . . . . 63.22 112.34 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.0 145.2 56.66 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.267 0.627 . . . . 73.54 112.321 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.11 79.58 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.471 0.708 . . . . 74.32 112.379 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' HE2' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -93.39 -11.51 32.09 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.369 0.668 . . . . 63.15 111.466 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -139.79 60.82 16.66 Favored Pre-proline 0 CA--C 1.576 1.974 0 C-N-CA 124.221 1.008 . . . . 71.51 111.114 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -75.95 -33.06 3.93 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 122.448 2.099 . . . . 51.34 113.421 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -73.02 -14.64 61.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.424 1.09 . . . . 61.0 112.735 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 100' ' ' MET . 53.7 tp -52.51 -46.65 66.74 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.966 0.906 . . . . 64.13 112.732 -174.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.405 ' HB3' ' HB3' ' A' ' 70' ' ' LEU . 34.3 ptt-85 -67.66 -37.58 82.58 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.35 0.66 . . . . 63.33 111.743 173.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -71.88 -27.69 63.02 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.602 1.161 . . . . 62.11 111.243 -172.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.75 -34.78 77.51 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.844 0.857 . . . . 73.12 110.831 174.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.3 t -67.41 -43.25 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 CA-C-O 121.433 0.635 . . . . 51.11 110.024 172.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.13 -24.84 64.15 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.27 1.028 . . . . 73.13 112.255 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.509 ' HA ' HG21 ' A' ' 33' ' ' ILE . 38.9 t -85.03 -10.0 57.42 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.865 0.866 . . . . 70.22 111.797 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.12 18.85 62.04 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.522 -0.308 . . . . 74.24 113.789 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.3 -58.67 2.5 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.585 0.754 . . . . 65.13 110.778 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.5 mt -91.51 132.46 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.506 0.723 . . . . 64.02 109.636 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.7 p -82.87 150.94 63.17 Favored Pre-proline 0 N--CA 1.487 1.414 0 CA-C-N 117.569 0.168 . . . . 54.43 110.873 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -48.05 -36.59 28.41 Favored 'Trans proline' 0 C--N 1.379 2.158 0 C-N-CA 123.611 2.874 . . . . 74.04 115.345 174.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -70.7 -40.43 72.86 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 119.147 -0.454 . . . . 73.3 111.552 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -56.97 -53.2 60.75 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 122.917 0.487 . . . . 71.4 111.225 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.7 tp -67.5 -22.97 29.26 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.686 0 CA-C-N 115.954 -0.566 . . . . 74.41 111.69 -177.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.31 -32.59 26.26 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.879 0.871 . . . . 63.55 113.264 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.17 -34.96 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 112.367 0.506 . . . . 63.31 112.367 -175.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.3 mtm -66.87 145.09 55.84 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 122.553 0.341 . . . . 54.15 110.993 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.9 p -73.76 158.96 33.66 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.574 0.349 . . . . 63.52 110.373 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.2 t -57.64 -30.82 65.7 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.28 0.632 . . . . 72.33 111.682 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -64.57 -40.7 96.02 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.971 0.909 . . . . 72.23 111.771 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.11 -30.35 58.22 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.541 0.736 . . . . 74.13 111.931 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.585 ' SD ' ' NH1' ' A' ' 66' ' ' ARG . 82.5 mtp -67.07 -42.67 84.32 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.029 0.931 . . . . 74.11 111.286 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.65 -32.59 28.14 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.432 0.693 . . . . 72.52 112.036 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.9 m 63.02 126.76 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 125.773 1.629 . . . . 71.01 113.75 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.25 -33.24 75.53 Favored 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 123.579 0.751 . . . . 62.32 112.694 -175.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.13 -42.02 89.69 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.055 0.542 . . . . 65.11 110.584 173.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.13 -0.84 26.43 Favored 'General case' 0 CA--C 1.561 1.367 0 C-N-CA 124.194 0.998 . . . . 74.13 112.674 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -72.23 -31.52 65.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.8 -0.563 . . . . 72.12 111.401 166.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -107.14 -41.04 5.25 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.494 0.718 . . . . 62.11 112.034 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.9 mm -71.72 -45.21 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 123.056 0.542 . . . . 74.31 110.582 173.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 56.66 -90.87 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.075 1.35 . . . . 74.23 112.182 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.409 ' HE2' ' O ' ' A' ' 74' ' ' LYS . 69.4 mmtt -134.17 92.42 2.94 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.015 0.926 . . . . 71.23 109.002 176.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.71 -6.13 42.4 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.849 0.86 . . . . 42.32 112.082 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 51.1 tpp -66.51 107.84 2.21 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 124.095 0.958 . . . . 75.03 110.779 171.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 CA--C 1.566 1.571 0 C-N-CA 123.389 0.676 . . . . 61.11 111.21 -178.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 111.252 0.093 . . . . 73.54 111.252 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -68.33 93.12 0.45 Allowed 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 122.168 0.985 . . . . 63.32 111.831 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.4 mtt -119.84 128.63 25.77 Favored Pre-proline 0 CA--C 1.552 1.04 0 CA-C-N 115.117 -0.947 . . . . 71.23 109.665 175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.53 141.2 94.74 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.337 2.025 . . . . 75.41 110.923 170.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.4 t -52.88 105.44 0.53 Allowed Pre-proline 0 N--CA 1.495 1.801 0 C-N-CA 124.135 0.974 . . . . 74.02 112.228 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -75.34 179.61 6.0 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 123.077 2.518 . . . . 62.22 114.834 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.6 m -93.24 168.05 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 124.726 1.21 . . . . 75.1 112.785 -173.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.7 m -60.48 116.72 4.53 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.834 0.854 . . . . 65.1 111.919 175.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.9 m -106.55 122.44 46.32 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.021 0.929 . . . . 64.43 110.116 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 64.48 9.19 4.82 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 114.953 1.464 . . . . 70.24 114.953 172.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.6 -21.43 0.19 Allowed 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 125.489 1.516 . . . . 53.35 114.836 -178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -62.32 -47.12 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 124.217 1.007 . . . . 43.45 111.657 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.449 HH22 ' CD ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -70.93 -29.49 65.54 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.218 -0.901 . . . . 72.34 112.157 -178.482 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.59 -38.27 90.43 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.718 0.407 . . . . 74.31 110.414 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -63.48 -44.17 95.17 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.644 0.59 . . . . 73.11 111.145 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.8 t -57.09 -49.99 74.18 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.748 0.419 . . . . 71.2 111.335 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -59.63 -50.56 73.41 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.977 0.911 . . . . 74.31 112.27 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.4 -33.25 74.79 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 112.439 0.533 . . . . 64.02 112.439 -175.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.461 ' HB3' HD13 ' A' ' 67' ' ' ILE . 51.3 mtm -75.25 -38.89 60.32 Favored 'General case' 0 CA--C 1.562 1.417 0 N-CA-C 112.663 0.616 . . . . 75.21 112.663 177.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.61 -37.55 87.77 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 123.074 0.55 . . . . 71.24 110.416 171.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.0 m -64.64 -42.02 95.73 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.002 0.921 . . . . 75.14 110.814 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.91 -30.84 71.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.928 0.891 . . . . 62.44 111.77 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.541 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -64.34 -41.45 96.77 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.068 0.547 . . . . 71.13 110.94 171.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -76.38 -8.85 57.99 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.469 0.708 . . . . 71.24 112.377 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -115.1 -7.46 12.47 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 124.18 0.992 . . . . 74.13 112.952 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 t -65.11 -29.32 70.17 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 112.778 0.659 . . . . 65.22 112.778 -169.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -108.85 -3.39 17.7 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.167 0.987 . . . . 62.32 110.543 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.4 m80 62.28 25.57 15.29 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 124.672 1.189 . . . . 73.21 110.291 -163.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -59.81 -39.08 83.82 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.889 1.676 . . . . 64.34 112.86 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -67.62 -32.32 72.96 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 112.012 0.375 . . . . 72.0 112.012 176.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -69.06 -43.22 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 C-N-CA 123.329 0.652 . . . . 63.24 110.68 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.75 -31.07 69.85 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.243 -0.89 . . . . 64.43 112.316 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.4 mt -85.68 -28.48 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.164 0.586 . . . . 73.32 111.803 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.32 56.13 3.08 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-O 120.921 0.178 . . . . 74.13 112.968 -175.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.61 136.32 50.52 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.138 0.975 . . . . 52.22 111.408 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 7.1 m-20 -74.58 92.3 2.39 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.375 0.67 . . . . 51.51 110.303 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.9 p -63.05 -52.06 64.29 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.095 1.146 . . . . 54.24 114.095 -166.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.38 -25.45 66.79 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 111.858 0.318 . . . . 61.12 111.858 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -74.24 -43.42 57.11 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.437 1.095 . . . . 63.14 111.614 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 42.6 mt -66.14 -51.16 60.48 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.754 -0.462 . . . . 55.21 109.754 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -58.1 -30.78 66.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.871 1.268 . . . . 74.15 112.574 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 46' ' ' GLU . . . -65.11 -57.32 8.9 Favored 'General case' 0 C--O 1.209 -1.069 0 N-CA-C 109.638 -0.505 . . . . 44.34 109.638 171.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.486 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . 46.5 mt-30 -57.44 -25.6 59.91 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 123.526 0.73 . . . . 73.32 112.699 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.422 HG23 ' HA ' ' A' ' 93' ' ' ALA . 90.8 mt -74.67 -49.04 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.379 0 C-N-CA 123.974 0.91 . . . . 75.23 111.047 168.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -67.18 -47.23 71.58 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.489 0.716 . . . . 74.42 111.859 -171.697 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' CD ' HH22 ' A' ' 13' ' ' ARG . 3.1 mm-40 -52.66 -34.76 53.07 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.113 0.565 . . . . 54.54 111.061 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.9 m -77.17 -50.28 13.31 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.45 0.7 . . . . 53.4 112.756 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 45' ' ' GLU . 12.5 tt -66.79 -25.78 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 122.065 -0.397 . . . . 72.51 111.042 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.675 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 62.0 t80 -70.22 -27.81 64.77 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.699 0.799 . . . . 71.43 111.476 175.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -71.43 -54.8 9.47 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.466 0.306 . . . . 73.43 110.993 173.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.37 -56.6 4.84 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.969 0.729 . . . . 45.42 112.969 -173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.76 -21.4 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 C-N-CA 123.126 0.57 . . . . 75.23 111.704 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.675 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -76.41 33.01 1.36 Allowed Glycine 0 N--CA 1.476 1.318 0 N-CA-C 116.561 1.384 . . . . 41.52 116.561 -169.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -73.92 3.07 7.27 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 123.312 0.645 . . . . 62.24 111.727 170.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p 58.47 24.25 11.61 Favored 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 126.172 1.789 . . . . 61.05 113.339 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -73.96 -58.02 3.58 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 123.909 0.884 . . . . 71.45 112.69 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.3 ttm -172.59 -61.9 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.033 0.933 . . . . 73.42 110.394 -175.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -57.05 -31.8 65.55 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.006 0.922 . . . . 75.31 112.664 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.8 t80 -53.49 -54.39 37.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.443 1.097 . . . . 74.01 112.094 176.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.46 -35.97 82.64 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.942 -0.572 . . . . 74.52 112.011 -175.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -75.26 -33.22 61.26 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.098 0.559 . . . . 63.51 111.896 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -61.06 -46.23 91.52 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.257 0.623 . . . . 75.44 110.853 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 59' ' ' TYR . 53.9 t -63.23 -49.45 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 O-C-N 123.971 0.794 . . . . 63.21 110.921 178.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -51.17 -50.34 59.18 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 123.928 0.891 . . . . 61.33 112.497 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.7 t -69.91 -35.42 74.57 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.964 -0.562 . . . . 30.32 111.995 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -64.52 -48.35 75.44 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.068 0.547 . . . . 73.3 111.069 -175.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.68 HG22 ' HE3' ' A' ' 71' ' ' LYS . 58.8 mt -58.78 -41.72 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.67 1.188 . . . . 53.32 111.14 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -63.6 -35.79 81.66 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 115.706 -0.679 . . . . 72.2 111.725 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -75.49 -29.68 59.63 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.789 0.835 . . . . 62.4 111.785 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.69 -54.47 19.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.245 0.618 . . . . 72.24 110.781 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.68 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.8 ptpt -80.36 4.77 16.83 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.721 0.808 . . . . 72.43 112.381 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.63 129.62 40.5 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.89 0.876 . . . . 73.05 111.733 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.82 -23.36 59.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.497 0.719 . . . . 74.22 112.002 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -76.33 -30.9 57.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.123 0.569 . . . . 72.24 111.348 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -140.73 77.72 21.72 Favored Pre-proline 0 CA--C 1.562 1.442 0 C-N-CA 123.216 0.606 . . . . 72.31 111.127 173.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -83.4 -13.81 8.43 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.619 2.212 . . . . 74.51 112.841 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.51 -24.2 65.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.326 1.05 . . . . 72.05 112.468 174.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.43 HD21 ' SD ' ' A' ' 100' ' ' MET . 38.0 tp -54.26 -41.8 69.21 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.364 0.666 . . . . 73.51 111.455 175.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -73.78 -49.18 26.63 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.017 0.527 . . . . 74.34 111.662 171.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -56.87 -39.6 74.62 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.382 0.882 . . . . 65.01 113.382 -171.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -68.28 -33.92 75.22 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.898 0.479 . . . . 75.34 112.053 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.4 t -75.31 -41.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-O 121.115 0.483 . . . . 65.44 110.854 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.459 HD23 HD12 ' A' ' 40' ' ' LEU . 86.7 mt -66.78 -35.16 79.44 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.994 0.918 . . . . 63.31 112.134 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.5 m -81.57 -6.02 58.58 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.467 0.707 . . . . 75.13 112.275 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.76 21.47 68.7 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 114.499 0.56 . . . . 62.31 114.499 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.92 -61.17 1.97 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.673 0.789 . . . . 52.23 111.093 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 55.9 mt -84.95 119.45 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 109.215 -0.661 . . . . 75.12 109.215 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.5 p -74.82 146.44 82.93 Favored Pre-proline 0 CA--C 1.558 1.276 0 CA-C-O 119.301 -0.381 . . . . 43.04 111.351 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.486 ' HB3' ' HB3' ' A' ' 43' ' ' GLN . 11.6 Cg_exo -39.01 -42.87 2.17 Favored 'Trans proline' 0 C--N 1.385 2.473 0 C-N-CA 125.214 3.942 . . . . 75.42 116.95 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -46.91 72.98 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.988 0.515 . . . . 74.12 110.193 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -62.12 -52.98 61.7 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.805 0.842 . . . . 64.42 111.88 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.6 tp -61.08 -43.41 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 122.937 0.495 . . . . 74.23 111.843 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HA ' HG23 ' A' ' 44' ' ' ILE . . . -54.26 -45.96 72.53 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.432 0.693 . . . . 74.22 112.801 -176.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 m -97.02 -3.31 10.13 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 113.16 0.8 . . . . 72.4 113.16 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 40.1 ttp -68.69 129.81 41.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.819 0.448 . . . . 62.0 111.863 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.1 p -78.87 163.58 25.18 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.742 0.817 . . . . 74.32 112.219 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.1 p -59.51 -29.28 67.75 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 123.758 0.823 . . . . 61.44 112.297 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -62.44 -50.7 70.43 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.342 1.057 . . . . 75.13 110.975 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -72.99 -31.73 64.7 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 114.721 -1.127 . . . . 60.45 112.67 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.43 ' SD ' HD21 ' A' ' 78' ' ' LEU . 66.7 mtm -69.52 -30.5 68.36 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.754 0.422 . . . . 61.44 111.544 177.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.06 -2.57 52.68 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.425 0.69 . . . . 73.43 112.178 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.3 t -146.2 94.08 2.41 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 121.355 0.597 . . . . 74.23 111.626 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -68.3 -17.24 64.22 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.975 0.91 . . . . 74.34 111.888 171.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -61.77 -57.43 11.92 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.394 1.078 . . . . 63.5 111.545 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.52 -11.73 46.29 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 113.973 1.101 . . . . 75.55 113.973 -174.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -59.49 -48.33 82.07 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.115 0.966 . . . . 62.0 112.795 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -108.3 2.71 22.82 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 112.351 0.5 . . . . 73.45 112.351 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 49.9 mm -84.91 85.2 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 108.35 -0.982 . . . . 51.31 108.35 168.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -133.88 -51.94 0.85 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.986 0.914 . . . . 73.43 111.278 -171.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -63.37 -50.74 68.75 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.006 0.522 . . . . 73.24 110.244 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.53 87.7 3.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.78 0.832 . . . . 73.23 109.385 173.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 24.6 ttt -148.7 117.5 6.67 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 122.853 0.461 . . . . 74.24 111.084 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 N--CA 1.492 1.639 0 C-N-CA 124.035 0.934 . . . . 73.43 110.31 176.171 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 120.638 0.256 . . . . 73.43 111.654 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -89.67 152.89 21.13 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.454 0.702 . . . . 71.25 111.208 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.453 ' N ' ' SD ' ' A' ' 3' ' ' MET . 1.3 mpt? -75.23 109.31 7.27 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 123.328 0.651 . . . . 72.43 109.276 172.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -67.06 178.8 2.68 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.598 2.199 . . . . 43.21 113.591 -173.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.1 t -68.39 114.68 23.19 Favored Pre-proline 0 CA--C 1.564 1.481 0 C-N-CA 123.514 0.725 . . . . 63.14 111.168 -173.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.754 ' HD2' ' HB3' ' A' ' 46' ' ' GLU . 38.2 Cg_exo -61.39 176.44 1.15 Allowed 'Trans proline' 0 C--N 1.384 2.402 0 C-N-CA 123.238 2.625 . . . . 63.34 114.725 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 m -103.49 166.19 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.175 0.99 . . . . 74.4 111.143 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.506 ' HA ' ' NH1' ' A' ' 13' ' ' ARG . 81.7 p -75.08 138.33 42.04 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.062 0.545 . . . . 61.22 111.75 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.3 t -89.81 -65.39 1.02 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.025 0.53 . . . . 73.13 111.36 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -144.3 167.6 22.06 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.648 0.779 . . . . 73.01 110.076 -173.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 14' ' ' ASN . . . -59.96 -18.26 44.13 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.392 1.077 . . . . 54.25 113.796 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.3 t -57.77 -61.33 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.916 0.486 . . . . 72.54 111.005 173.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.506 ' NH1' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -72.06 -34.41 68.72 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.314 -0.403 . . . . 74.22 111.192 -179.766 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.7 t-20 -55.98 -50.82 69.75 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.768 0.427 . . . . 71.34 111.511 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.39 -33.24 75.49 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 123.509 0.506 . . . . 75.42 111.795 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.2 m -64.15 -41.14 97.3 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.802 0.441 . . . . 45.4 111.613 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -59.05 -45.35 90.97 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.277 0.631 . . . . 61.21 110.876 171.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 25.0 mm-40 -61.0 -34.41 74.76 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.807 0.443 . . . . 72.1 111.98 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.4 mtm -75.69 -30.85 59.49 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.0 0.52 . . . . 70.41 112.187 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.09 -38.2 85.29 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.882 0.473 . . . . 73.53 110.38 171.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 m -64.26 -42.05 96.65 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.822 0.849 . . . . 61.44 110.353 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.0 71.64 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.909 0.884 . . . . 75.21 112.041 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -69.99 -43.53 71.27 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.467 0.707 . . . . 74.34 111.091 171.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 95.7 mt -77.08 -9.29 58.63 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 113.284 0.846 . . . . 70.24 113.284 -178.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -122.61 18.3 10.39 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.502 0.721 . . . . 75.45 111.148 175.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 t -58.17 -26.66 63.02 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 123.794 0.837 . . . . 73.54 113.155 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -127.02 9.57 6.85 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.51 0.724 . . . . 64.15 110.563 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 m80 57.35 23.23 8.66 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.203 1.001 . . . . 74.34 110.921 -166.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.64 -24.48 66.75 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.157 1.783 . . . . 74.04 114.238 -169.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -57.78 -27.89 63.49 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.376 0.67 . . . . 73.34 112.564 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -66.65 -38.66 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 C-N-CA 123.955 0.902 . . . . 75.2 111.732 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.78 -31.25 68.22 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.089 0.955 . . . . 75.13 112.897 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.468 HD13 ' SG ' ' A' ' 84' ' ' CYS . 67.4 mt -101.04 -23.62 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 123.99 0.916 . . . . 62.35 110.956 178.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.72 27.63 41.52 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-N 116.344 -0.389 . . . . 73.21 113.766 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.06 151.25 21.1 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.965 0.906 . . . . 75.31 112.661 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -90.11 88.57 7.32 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.76 0.824 . . . . 73.15 109.753 174.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 26.7 p -68.91 -38.73 79.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.976 0.91 . . . . 61.4 113.435 -170.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -33.47 75.26 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 122.59 0.356 . . . . 74.52 111.625 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -68.27 -42.68 79.23 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.537 0.735 . . . . 75.43 109.696 174.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 44' ' ' ILE . 96.3 mt -58.3 -45.97 87.0 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.915 0.486 . . . . 74.32 111.106 174.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -56.41 -41.01 75.62 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.269 1.028 . . . . 73.43 112.509 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -47.11 87.44 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.851 -0.613 . . . . 71.32 111.409 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -63.85 -44.92 91.71 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.593 0.757 . . . . 75.3 112.271 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 40' ' ' LEU . 85.2 mt -60.38 -50.92 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.111 0.964 . . . . 74.02 110.66 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -62.58 -48.46 79.38 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.843 -0.617 . . . . 64.4 111.498 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.754 ' HB3' ' HD2' ' A' ' 6' ' ' PRO . 28.3 mm-40 -62.67 -31.76 72.7 Favored 'General case' 0 CA--C 1.556 1.178 0 N-CA-C 113.216 0.821 . . . . 73.2 113.216 -176.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.8 m -62.03 -50.04 73.59 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.814 0.446 . . . . 64.12 112.104 172.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.638 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 10.3 tt -77.56 -25.17 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 C-N-CA 123.101 0.56 . . . . 71.12 111.572 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -62.21 -30.75 71.3 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.401 1.08 . . . . 73.34 112.63 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -57.54 -50.02 74.44 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 123.624 0.77 . . . . 74.35 111.984 -174.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -90.02 -55.51 3.59 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.562 0.696 . . . . 72.31 112.268 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.493 HG13 ' HE2' ' A' ' 58' ' ' LYS . 77.0 t -79.71 -25.26 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 124.072 0.949 . . . . 73.24 112.891 -167.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.18 24.28 1.11 Allowed Glycine 0 CA--C 1.545 1.95 0 N-CA-C 115.751 1.061 . . . . 61.23 115.751 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.522 HD21 ' HD3' ' A' ' 58' ' ' LYS . 25.8 p30 -66.31 -17.21 64.62 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.059 1.344 . . . . 64.22 112.063 166.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p 60.71 20.3 10.33 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 126.062 1.745 . . . . 74.44 114.224 172.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -66.35 -66.64 0.53 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.761 0.424 . . . . 74.32 111.328 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -153.14 -42.37 0.1 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 122.935 0.494 . . . . 73.32 111.487 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.541 ' O ' ' HG2' ' A' ' 62' ' ' ARG . 21.4 ptmt -52.83 -46.31 67.71 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.478 0.711 . . . . 53.31 112.198 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 87.2 t80 -56.68 -45.26 81.83 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.071 0.948 . . . . 73.21 112.534 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.529 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 10.7 mmpt? -55.73 -44.97 78.01 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.68 0.792 . . . . 74.04 111.654 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -69.58 -39.72 77.14 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.805 -0.634 . . . . 71.2 111.652 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 24.4 mmt85 -66.71 -33.86 76.58 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 122.782 0.433 . . . . 71.24 111.737 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 59' ' ' TYR . 81.0 t -64.16 -48.77 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.189 0.596 . . . . 63.11 110.733 174.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -58.53 -45.17 89.42 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.704 0.401 . . . . 73.5 111.229 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.3 m -62.99 -38.63 91.95 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.964 0.905 . . . . 74.32 111.746 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -67.88 -52.83 32.0 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.655 0.382 . . . . 75.34 110.711 -178.637 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.469 HG23 ' HB2' ' A' ' 23' ' ' ALA . 93.8 mt -54.69 -43.43 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 124.504 1.122 . . . . 70.21 111.392 175.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.7 t -57.58 -49.75 75.39 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.003 0.921 . . . . 72.1 111.903 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 13.4 m120 -67.68 -31.85 72.1 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.193 0.597 . . . . 73.42 112.225 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.97 -40.72 91.5 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.013 0.525 . . . . 53.04 111.511 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 18.8 ptpt -102.31 14.91 30.7 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 123.4 0.68 . . . . 75.15 112.098 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.464 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 27.1 t70 -65.31 141.06 58.72 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.641 0.776 . . . . 74.25 112.514 -173.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.88 -19.16 27.74 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.432 0.693 . . . . 73.44 112.353 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -88.91 -23.17 22.79 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.007 0.523 . . . . 64.21 111.325 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.536 HD22 ' HB2' ' A' ' 78' ' ' LEU . 5.2 t30 -143.92 73.21 16.7 Favored Pre-proline 0 CA--C 1.569 1.684 0 C-N-CA 123.291 0.636 . . . . 65.34 109.619 174.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.27 -26.25 9.15 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 123.615 2.877 . . . . 72.42 114.171 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -66.01 -18.15 65.15 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.059 0.944 . . . . 71.23 113.198 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.536 ' HB2' HD22 ' A' ' 75' ' ' ASN . 22.7 tp -52.34 -52.45 53.25 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.344 1.058 . . . . 61.3 112.598 -175.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.418 ' HG3' HD23 ' A' ' 24' ' ' LEU . 37.8 ttp-105 -58.6 -41.35 85.6 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.745 -1.116 . . . . 73.22 111.241 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -69.17 -32.65 72.12 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.458 1.103 . . . . 73.25 111.86 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -70.24 -34.92 73.44 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.368 0.667 . . . . 51.41 111.614 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.84 -40.94 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.118 0.567 . . . . 54.32 110.443 173.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 79' ' ' ARG . 71.9 mt -63.77 -35.79 81.75 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.634 0.773 . . . . 63.34 111.98 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 33' ' ' ILE . 86.4 m -80.89 -13.67 58.7 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.337 0.655 . . . . 52.21 112.444 177.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.86 75.35 Favored Glycine 0 N--CA 1.476 1.306 0 N-CA-C 114.079 0.392 . . . . 71.34 114.079 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.35 -38.81 78.29 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.44 0.696 . . . . 71.21 110.682 173.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 55.8 mt -103.66 129.28 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.846 0.858 . . . . 71.5 109.797 175.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.4 p -78.4 151.97 78.23 Favored Pre-proline 0 N--CA 1.486 1.345 0 C-N-CA 122.935 0.494 . . . . 43.21 110.986 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -50.54 -34.41 42.42 Favored 'Trans proline' 0 C--N 1.382 2.317 0 C-N-CA 123.433 2.756 . . . . 55.24 114.249 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -67.73 -44.86 76.59 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.742 0.817 . . . . 74.31 111.494 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -64.26 -55.35 22.07 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.35 0.66 . . . . 54.32 111.947 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.4 tp -63.96 -34.63 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 C-N-CA 123.086 0.554 . . . . 62.1 112.253 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.638 ' HB1' ' HB ' ' A' ' 48' ' ' ILE . . . -59.2 -48.75 80.46 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.05 0.54 . . . . 50.14 112.395 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.2 m -99.13 8.61 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.468 0.707 . . . . 64.31 112.027 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 59.7 ttm -63.83 128.37 35.51 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.121 0.568 . . . . 75.53 111.918 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.1 p -89.6 160.37 16.7 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.188 0.595 . . . . 70.12 110.803 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.8 p -59.04 -36.22 74.66 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 124.052 0.941 . . . . 71.42 112.456 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.45 -50.21 64.13 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.264 1.026 . . . . 64.43 110.844 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.21 -40.85 94.71 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.898 1.279 . . . . 73.15 111.909 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -66.9 -53.94 27.15 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.907 1.283 . . . . 64.0 111.681 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.53 6.84 19.04 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.791 0.836 . . . . 51.25 113.231 -174.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.8 t -70.37 108.74 4.38 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 111.952 0.353 . . . . 73.13 111.952 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -66.2 -22.15 66.34 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.522 0.729 . . . . 63.51 112.451 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -78.65 -51.53 9.73 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.324 0.65 . . . . 74.34 111.505 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 41.7 mt -69.39 -3.5 14.52 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 114.51 1.3 . . . . 73.35 114.51 -170.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -54.02 -36.23 62.79 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.37 1.068 . . . . 73.41 112.328 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -128.6 15.68 6.49 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.454 0.701 . . . . 34.34 112.433 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.9 mm -89.99 116.16 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 122.015 -0.428 . . . . 75.22 110.241 176.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -73.49 118.52 16.54 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.805 0.842 . . . . 62.22 110.669 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.448 ' HD2' ' H ' ' A' ' 113' ' ' THR . 4.8 tmtp? 72.96 -62.78 0.46 Allowed 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 125.901 1.68 . . . . 74.21 111.091 -178.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 78.82 -49.61 0.44 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 125.577 1.551 . . . . 51.34 113.916 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 49.5 ttm -70.0 -69.36 0.36 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.528 0.731 . . . . 51.33 111.828 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.448 ' H ' ' HD2' ' A' ' 110' ' ' LYS . 35.5 p . . . . . 0 CA--C 1.564 1.516 0 C-N-CA 123.929 0.892 . . . . 74.33 111.129 -176.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 110.201 -0.296 . . . . 61.05 110.201 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -157.08 138.33 13.73 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.673 0.789 . . . . 52.25 109.997 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.1 mtt 62.92 91.55 0.08 OUTLIER Pre-proline 0 N--CA 1.485 1.291 0 C-N-CA 124.491 1.116 . . . . 73.41 111.486 -171.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.24 156.15 59.63 Favored 'Trans proline' 0 C--N 1.372 1.791 0 C-N-CA 122.651 2.234 . . . . 74.12 112.353 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.0 m -77.21 151.83 81.49 Favored Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 122.817 0.447 . . . . 62.45 111.26 176.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -73.18 156.16 51.45 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 122.459 2.106 . . . . 73.02 113.168 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.98 166.92 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 115.078 -0.965 . . . . 75.3 110.013 169.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.4 m -61.1 100.33 0.12 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 122.919 0.488 . . . . 53.11 110.546 175.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.8 m -61.53 -51.57 68.05 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.935 0.894 . . . . 74.13 111.821 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -158.4 -173.88 4.52 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 114.992 -1.004 . . . . 71.51 111.045 -173.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.99 87.49 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.768 0.827 . . . . 64.34 112.821 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.8 t -71.17 -47.39 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 122.86 0.464 . . . . 61.32 110.228 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -60.38 -34.63 74.17 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.545 -0.752 . . . . 74.24 111.76 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.39 -55.46 34.75 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.506 0.723 . . . . 73.4 110.692 176.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 9.7 mptt -69.33 -43.54 73.49 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.148 -0.933 . . . . 74.04 112.224 -175.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m -61.72 -42.51 99.05 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.913 0.485 . . . . 50.43 111.682 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.477 HH21 ' HG2' ' A' ' 38' ' ' GLU . 77.7 ttt180 -64.39 -51.39 63.48 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.996 0.518 . . . . 74.31 111.862 176.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' HG2' ' HA ' ' A' ' 15' ' ' LYS . 12.1 pt-20 -68.11 -32.75 73.27 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 112.433 0.531 . . . . 75.42 112.433 -175.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.617 ' SD ' HD11 ' A' ' 67' ' ' ILE . 22.5 ptp -75.8 -32.27 59.81 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 112.504 0.557 . . . . 75.44 112.504 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.03 -38.46 72.6 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 110.13 -0.322 . . . . 75.05 110.13 171.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -62.59 -35.53 79.82 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.361 0.664 . . . . 71.42 110.825 171.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.589 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -67.3 -36.04 80.69 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.095 0.958 . . . . 70.21 111.712 176.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.13 -27.85 67.66 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.588 0.755 . . . . 70.3 111.824 173.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -82.02 -29.43 31.99 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.509 0.723 . . . . 51.22 112.329 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.589 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 19.6 pt20 -103.33 12.36 35.52 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 123.691 0.797 . . . . 71.04 112.191 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -55.98 -37.67 69.39 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.135 0.974 . . . . 62.01 112.428 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.76 -87.99 0.45 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.427 0.691 . . . . 73.32 109.288 170.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -174.47 18.6 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 CA-C-N 118.601 0.637 . . . . 75.33 111.815 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.81 -40.89 76.81 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 125.461 1.504 . . . . 63.12 114.656 -162.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -63.9 -25.5 68.18 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.192 0.597 . . . . 74.53 112.167 -173.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.3 t -73.49 -48.01 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.509 0.724 . . . . 73.13 111.127 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.08 70.17 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.688 0.795 . . . . 71.0 112.585 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.531 HD11 ' HG3' ' A' ' 80' ' ' ARG . 70.4 mt -86.92 -31.48 6.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 123.606 0.763 . . . . 63.4 111.407 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.49 45.46 8.66 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 116.524 -0.307 . . . . 73.11 113.445 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.16 129.52 27.62 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.591 0.756 . . . . 63.22 110.251 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.66 117.39 9.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.201 0.6 . . . . 54.4 111.122 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.7 p -72.99 -21.98 60.76 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 113.221 0.822 . . . . 30.05 113.221 -175.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.477 ' HG2' HH21 ' A' ' 17' ' ' ARG . 39.4 tt0 -66.95 -48.55 68.23 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.068 0.547 . . . . 72.42 112.008 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -67.12 -35.06 78.93 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.462 0.705 . . . . 71.11 112.173 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.426 ' O ' HG13 ' A' ' 44' ' ' ILE . 79.8 mt -65.71 -47.16 76.31 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.204 0.601 . . . . 54.11 110.48 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.446 ' HA ' HD12 ' A' ' 44' ' ' ILE . 45.3 t -63.51 -31.4 72.55 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.042 0.937 . . . . 75.01 112.241 175.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.81 -40.56 88.1 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.53 0.732 . . . . 73.11 111.37 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -70.17 -31.23 68.61 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 116.337 -0.392 . . . . 63.02 111.731 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 41' ' ' SER . 76.6 mt -60.97 -43.41 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 122.761 0.424 . . . . 64.31 110.091 171.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.19 -41.26 78.99 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.068 0.947 . . . . 74.04 112.917 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.44 -51.39 63.37 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.057 0.543 . . . . 75.41 111.879 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.97 -34.94 79.62 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.456 -0.793 . . . . 73.41 112.604 -175.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 tt -77.51 -35.17 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 109.957 -0.386 . . . . 52.45 109.957 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.76 -28.2 69.81 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.621 0.769 . . . . 63.44 112.877 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 -70.31 -39.55 74.75 Favored 'General case' 0 CA--C 1.557 1.214 0 O-C-N 121.665 -0.647 . . . . 73.35 111.618 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -86.09 -38.69 17.53 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.526 0.73 . . . . 71.43 111.577 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 58' ' ' LYS . 40.8 t -110.21 -9.8 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 124.42 1.088 . . . . 72.32 112.969 -163.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.63 5.01 0.19 Allowed Glycine 0 N--CA 1.489 2.193 0 N-CA-C 117.723 1.849 . . . . 72.2 117.723 -171.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -74.19 1.55 11.05 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 123.992 0.917 . . . . 73.24 111.596 165.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.1 p 61.25 -105.74 0.21 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.361 1.864 . . . . 65.13 111.369 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t70 60.06 -179.27 0.09 Allowed 'General case' 0 CA--C 1.578 2.04 0 CA-C-N 118.963 0.801 . . . . 72.5 111.713 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -22.92 64.09 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.508 -0.745 . . . . 72.02 111.732 169.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.656 ' HD2' HG13 ' A' ' 52' ' ' VAL . 2.6 tmtp? -56.5 -52.12 65.92 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.527 0.731 . . . . 72.33 110.406 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -65.93 -52.28 51.25 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.201 0.6 . . . . 75.14 111.92 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.02 -43.78 98.38 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.12 0.968 . . . . 72.54 112.907 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -76.51 -39.93 51.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.618 0.599 . . . . 75.23 112.618 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -66.12 -37.1 84.9 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.164 0.431 . . . . 75.31 112.164 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.435 HG12 ' SD ' ' A' ' 19' ' ' MET . 87.0 t -64.31 -55.22 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 122.535 0.334 . . . . 42.4 111.211 176.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -62.04 -31.82 72.26 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 112.24 0.459 . . . . 75.53 112.24 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 t -69.91 -49.21 54.35 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.595 0.758 . . . . 72.31 111.919 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -59.76 -31.43 69.65 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 112.949 0.722 . . . . 54.13 112.949 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.617 HD11 ' SD ' ' A' ' 19' ' ' MET . 69.0 mt -52.13 -50.22 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.211 0.604 . . . . 55.32 111.627 175.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.2 p -66.14 -37.3 85.35 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.24 0.616 . . . . 65.35 111.678 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.81 -40.87 92.28 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 123.947 0.899 . . . . 73.42 112.119 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.74 -44.22 82.08 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.616 0.766 . . . . 74.42 111.251 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.2 ptpt -84.57 -2.68 57.74 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.012 0.745 . . . . 72.53 113.012 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -71.99 143.52 49.17 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 120.951 0.405 . . . . 65.24 111.454 -175.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.51 -17.11 61.77 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 113.268 0.84 . . . . 65.23 113.268 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -72.45 -46.58 54.34 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 122.727 0.411 . . . . 72.21 110.045 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 101' ' ' ALA . 2.1 m-20 -124.11 76.23 59.47 Favored Pre-proline 0 CA--C 1.566 1.596 0 C-N-CA 123.393 0.677 . . . . 52.3 111.823 178.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.12 -26.49 7.63 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 122.09 1.86 . . . . 70.14 111.59 166.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.653 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 4.3 m-20 -67.25 -18.47 65.23 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.905 0.882 . . . . 72.44 112.346 174.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 75' ' ' ASN . 61.8 tp -59.15 -55.94 28.5 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.168 0.587 . . . . 75.23 110.92 175.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -73.99 -34.59 64.25 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.068 -0.515 . . . . 73.04 110.827 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.653 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 15.9 ttt180 -58.78 -41.66 87.18 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.219 1.008 . . . . 74.41 112.053 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -69.32 -31.75 70.41 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.042 0.537 . . . . 72.12 111.755 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 87' ' ' ILE . 52.6 t -66.43 -42.41 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-O 121.343 0.592 . . . . 63.43 110.443 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 68.7 mt -69.91 -30.9 68.43 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.145 0.978 . . . . 74.44 112.026 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.8 t -85.89 -15.24 42.39 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.571 0.748 . . . . 75.21 111.781 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.41 8.56 77.47 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 114.451 0.54 . . . . 74.13 114.451 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.9 -54.75 13.81 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.452 0.701 . . . . 30.11 110.426 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 82' ' ' VAL . 79.7 mt -89.93 123.0 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 108.333 -0.988 . . . . 60.14 108.333 167.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 91' ' ' GLN . 30.8 p -75.24 153.61 86.21 Favored Pre-proline 0 N--CA 1.48 1.053 0 C-N-CA 122.189 0.196 . . . . 74.54 110.979 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -52.07 -23.69 17.82 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 123.175 2.583 . . . . 64.41 114.13 170.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.52 -47.77 45.8 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.802 0.441 . . . . 54.55 111.06 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.409 ' HG2' ' OG1' ' A' ' 88' ' ' THR . 14.7 mm100 -60.41 -51.84 67.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.04 0.536 . . . . 75.13 111.571 -176.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.38 -23.14 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 N-CA-C 112.142 0.423 . . . . 72.53 112.142 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.36 -32.15 29.41 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.691 0.796 . . . . 74.55 112.762 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.7 m -95.54 -26.29 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 112.618 0.599 . . . . 75.24 112.618 -177.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 61.3 mtm -77.73 134.15 38.15 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.112 0.565 . . . . 75.21 111.495 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.4 p -76.38 165.56 24.66 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.139 0.575 . . . . 75.11 110.455 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.424 ' HA ' ' HB2' ' A' ' 100' ' ' MET . 32.4 p -56.37 -23.27 36.59 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 124.338 1.055 . . . . 71.54 113.652 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -71.31 -43.58 66.82 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.465 0.706 . . . . 75.44 111.172 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -71.08 -35.4 71.86 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 123.952 0.901 . . . . 72.11 111.428 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.424 ' HB2' ' HA ' ' A' ' 97' ' ' SER . 69.7 mtp -66.67 -29.11 69.04 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.252 1.021 . . . . 75.31 111.037 175.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.424 ' HA ' ' ND2' ' A' ' 75' ' ' ASN . . . -82.61 -28.31 30.89 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.399 0.68 . . . . 72.11 111.346 171.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.1 m 65.51 61.44 0.7 Allowed 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 125.41 1.484 . . . . 73.03 111.175 -176.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -51.19 -39.84 57.35 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 125.567 1.547 . . . . 74.31 114.099 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.92 -40.43 68.8 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.503 0.721 . . . . 72.45 111.285 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.409 ' HA ' ' HB ' ' A' ' 108' ' ' ILE . 3.3 mm? -69.44 -13.26 62.26 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 124.043 0.937 . . . . 73.54 112.363 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -72.22 -2.01 17.26 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 112.37 0.508 . . . . 62.41 112.37 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -126.34 -4.05 6.74 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.531 0.733 . . . . 73.32 111.686 170.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.442 HG23 ' HB3' ' A' ' 111' ' ' ALA . 49.4 mm -102.36 94.3 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 C-N-CA 123.392 0.677 . . . . 73.15 111.506 -174.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -119.31 -49.98 2.36 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 124.303 1.041 . . . . 65.35 109.748 169.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -58.93 -44.24 91.32 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.723 0.809 . . . . 71.52 111.11 176.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.442 ' HB3' HG23 ' A' ' 108' ' ' ILE . . . -84.79 171.57 12.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.101 0.561 . . . . 74.2 111.156 172.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.0 ptm -154.94 -171.81 3.97 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.077 0.951 . . . . 74.41 109.939 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 46.5 m . . . . . 0 N--CA 1.493 1.713 0 C-N-CA 124.369 1.067 . . . . 72.14 111.709 173.485 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.548 0.214 . . . . 71.5 111.09 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -91.94 -7.78 48.1 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 123.329 0.651 . . . . 55.41 112.196 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.477 ' N ' ' SD ' ' A' ' 3' ' ' MET . 0.5 OUTLIER -74.26 144.43 81.52 Favored Pre-proline 0 CA--C 1.56 1.327 0 C-N-CA 123.352 0.661 . . . . 73.31 112.069 -177.67 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.72 159.28 51.94 Favored 'Trans proline' 0 C--N 1.385 2.458 0 C-N-CA 123.041 2.494 . . . . 71.13 113.414 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.82 134.22 90.16 Favored Pre-proline 0 CA--C 1.564 1.484 0 C-N-CA 123.205 0.602 . . . . 73.43 111.993 -175.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -76.6 150.2 31.23 Favored 'Trans proline' 0 C--N 1.374 1.906 0 C-N-CA 122.773 2.316 . . . . 74.34 112.467 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.95 165.54 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 123.815 0.846 . . . . 74.43 111.982 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.0 m 74.29 153.07 0.14 Allowed 'General case' 0 N--CA 1.501 2.117 0 C-N-CA 125.092 1.357 . . . . 70.3 112.612 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.3 t -154.14 -168.66 3.02 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.581 0.752 . . . . 44.34 110.127 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -53.74 -60.38 3.38 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.381 1.072 . . . . 70.23 112.019 175.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -157.62 -64.2 0.09 Allowed 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 112.175 0.435 . . . . 72.52 112.175 -176.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.91 -59.46 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.776 0.83 . . . . 71.41 112.415 -170.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -61.62 -30.47 70.71 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.666 0.786 . . . . 62.41 111.629 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -63.42 -49.42 73.81 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.87 0.468 . . . . 74.52 110.878 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -71.8 -33.32 68.45 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.027 -0.533 . . . . 45.31 111.766 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -61.04 -47.36 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.032 0.533 . . . . 65.34 110.655 174.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.423 HH21 ' HG3' ' A' ' 38' ' ' GLU . 3.8 tmt_? -55.01 -45.68 75.14 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.219 1.008 . . . . 75.04 110.87 173.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -59.37 -48.92 79.81 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.638 0.775 . . . . 75.24 112.696 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.2 mtm -74.3 -33.93 63.36 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.633 0.773 . . . . 71.43 112.825 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.3 -41.59 76.58 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.755 0.422 . . . . 34.42 110.821 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -64.34 -36.8 85.3 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.086 0.554 . . . . 75.33 110.848 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.492 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -64.83 -34.82 79.27 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.713 0.805 . . . . 60.42 111.648 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -65.06 -37.4 87.45 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.532 0.733 . . . . 64.21 111.526 174.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 70' ' ' LEU . 89.1 mt -76.99 -7.57 55.85 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.817 0.847 . . . . 53.41 113.073 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.492 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 3.7 pt20 -125.08 10.35 8.14 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.653 0.781 . . . . 75.21 111.932 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.7 t -58.1 -28.19 64.38 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.173 0.805 . . . . 75.42 113.173 -168.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -154.16 54.4 0.7 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.612 0.765 . . . . 71.24 109.244 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.9 m170 61.34 34.34 18.47 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.285 1.034 . . . . 70.31 113.327 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.52 -52.54 64.07 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.811 0.844 . . . . 73.11 111.539 -175.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -71.53 -26.24 62.57 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 116.027 -0.533 . . . . 75.11 112.135 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.28 -34.02 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.895 0.878 . . . . 62.22 111.385 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.8 72.79 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.783 0.833 . . . . 72.24 112.051 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.54 HD11 ' HD2' ' A' ' 80' ' ' ARG . 54.7 mt -98.94 -16.39 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.508 0 C-N-CA 124.06 0.944 . . . . 74.25 111.272 -178.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.88 14.34 82.26 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 122.85 0.262 . . . . 72.2 113.359 -174.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.427 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -77.18 138.22 39.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.261 1.024 . . . . 42.42 112.372 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.573 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 14.5 m-20 -78.73 93.5 4.94 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.889 0.476 . . . . 72.32 110.788 177.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.2 p -62.85 -22.46 66.7 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.628 0.771 . . . . 72.5 112.95 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.423 ' HG3' HH21 ' A' ' 17' ' ' ARG . 41.3 tt0 -59.24 -52.77 64.25 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.022 0.929 . . . . 72.04 112.565 178.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.573 ' HE ' ' HB2' ' A' ' 36' ' ' ASP . 16.7 ptt180 -74.88 -35.82 62.28 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.611 0.364 . . . . 65.03 111.508 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.427 HD11 ' HB1' ' A' ' 35' ' ' ALA . 94.9 mt -59.98 -46.17 90.31 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.066 0.547 . . . . 72.31 111.574 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.7 t -56.95 -46.99 81.74 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.203 1.001 . . . . 71.31 111.837 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.12 73.47 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.815 0.846 . . . . 72.43 112.303 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -77.15 -37.94 52.85 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.373 0.669 . . . . 75.45 112.757 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 40' ' ' LEU . 72.7 mt -61.83 -43.78 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-O 121.901 0.858 . . . . 74.11 109.377 172.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.38 -48.21 82.3 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 113.459 -1.7 . . . . 74.44 112.198 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.34 -33.54 76.07 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 112.078 0.399 . . . . 70.32 112.078 -174.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.3 m -69.07 -49.68 55.2 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.904 0.482 . . . . 73.55 111.182 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.479 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 15.6 tt -72.21 -24.34 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.483 0 C-N-CA 123.26 0.624 . . . . 75.21 111.673 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -62.19 -25.53 67.83 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.615 1.166 . . . . 60.34 112.82 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -55.03 -60.87 2.78 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.497 0.719 . . . . 75.0 112.239 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.37 -53.66 4.45 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.426 0.631 . . . . 74.11 111.688 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.443 HG13 ' HG3' ' A' ' 58' ' ' LYS . 47.7 t -85.24 -14.2 11.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 C-N-CA 124.254 1.022 . . . . 74.41 113.077 -169.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.99 31.8 1.3 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 115.587 0.995 . . . . 72.23 115.587 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -95.48 13.36 26.26 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 125.871 1.669 . . . . 72.43 112.278 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.2 p 56.32 19.34 3.9 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 125.584 1.554 . . . . 63.32 114.089 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.486 ' HB3' ' HG2' ' A' ' 58' ' ' LYS . 37.1 t70 -75.57 172.21 12.96 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.517 0.727 . . . . 73.34 110.974 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 82.2 mtp -56.17 -28.4 57.94 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.133 0.573 . . . . 73.51 112.277 172.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.486 ' HG2' ' HB3' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -62.31 -39.2 92.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.967 0.507 . . . . 71.15 110.687 173.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.431 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 84.0 t80 -70.24 -48.83 55.22 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.09 0.956 . . . . 75.04 111.019 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -60.61 -37.73 82.38 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.779 0.831 . . . . 65.33 111.502 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -69.08 -47.15 65.99 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.702 0.801 . . . . 74.12 110.545 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -61.04 -40.05 92.14 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.28 0.632 . . . . 75.4 111.924 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 67' ' ' ILE . 78.2 t -66.78 -56.34 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 122.937 0.495 . . . . 73.15 110.842 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.428 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.4 ptm180 -60.28 -36.91 78.93 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 122.995 0.518 . . . . 71.21 112.37 -177.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.6 m -70.12 -41.56 73.8 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.174 0.59 . . . . 74.11 110.377 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -42.61 98.82 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.16 0.584 . . . . 63.52 111.204 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.573 HG23 ' HB2' ' A' ' 23' ' ' ALA . 81.4 mt -55.83 -47.77 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 124.261 1.024 . . . . 73.52 110.83 176.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -61.69 -36.39 80.74 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.623 0.769 . . . . 74.5 112.069 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.423 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 12.9 m120 -74.12 -32.45 63.19 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.494 0.718 . . . . 61.51 111.727 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 97.6 mt -74.34 -9.74 58.9 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.905 0.882 . . . . 75.55 111.804 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -124.4 14.55 8.91 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.61 0.764 . . . . 74.54 112.524 172.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 30.7 t0 -65.77 143.04 57.75 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 113.282 0.845 . . . . 61.05 113.282 -170.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.09 -30.98 20.71 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.356 1.062 . . . . 72.24 111.63 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -74.23 -31.72 62.7 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.427 0.691 . . . . 73.22 110.728 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.579 ' HB3' ' HB2' ' A' ' 78' ' ' LEU . 28.5 m-80 -121.92 78.57 40.98 Favored Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 124.596 1.158 . . . . 62.52 110.594 173.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.29 -28.86 12.0 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.321 2.014 . . . . 61.14 111.045 171.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.636 ' HB2' ' HD2' ' A' ' 106' ' ' LYS . 3.5 m-20 -70.91 -23.72 62.33 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.394 1.077 . . . . 63.25 111.59 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 75' ' ' ASN . 33.2 tp -63.1 -58.01 8.69 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.771 0.428 . . . . 70.24 110.471 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -64.71 -41.95 95.62 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.714 0.805 . . . . 62.11 111.564 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.54 ' HD2' HD11 ' A' ' 33' ' ' ILE . 28.5 tpt180 -54.93 -49.91 70.13 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.645 0.778 . . . . 75.12 111.728 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -75.74 -32.52 60.03 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 112.557 0.577 . . . . 71.52 112.557 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 78' ' ' LEU . 75.4 t -62.47 -49.09 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 CA-C-N 118.583 0.629 . . . . 73.42 110.483 174.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.401 HD21 HD22 ' A' ' 24' ' ' LEU . 55.3 mt -68.46 -31.04 70.05 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 123.786 0.834 . . . . 74.31 111.9 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.0 t -82.01 -12.3 58.38 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.01 0.524 . . . . 75.51 112.146 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.26 6.27 84.44 Favored Glycine 0 CA--C 1.54 1.626 0 N-CA-C 114.449 0.539 . . . . 71.24 114.449 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.03 -47.84 41.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.498 0.719 . . . . 73.14 111.408 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.8 mt -88.03 123.35 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 109.037 -0.727 . . . . 51.41 109.037 168.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.6 p -75.38 149.84 84.51 Favored Pre-proline 0 CA--C 1.557 1.249 0 C-N-CA 123.061 0.544 . . . . 73.02 111.782 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -45.76 -36.34 14.69 Favored 'Trans proline' 0 C--N 1.381 2.259 0 C-N-CA 124.106 3.204 . . . . 62.45 115.588 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -29.51 60.89 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.5 0.556 . . . . 64.05 112.5 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.47 -60.24 2.73 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.664 0.386 . . . . 63.04 110.887 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.55 -26.81 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 123.132 0.573 . . . . 71.45 111.949 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.479 ' HB1' ' HB ' ' A' ' 48' ' ' ILE . . . -65.69 -43.72 88.38 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 123.018 0.527 . . . . 55.44 112.411 174.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.4 m -94.84 -18.62 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 N-CA-C 113.505 0.928 . . . . 73.54 113.505 -173.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 79.3 mtp -70.05 126.9 31.03 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 112.32 0.489 . . . . 65.14 112.32 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.0 p -92.15 177.2 6.23 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.071 0.948 . . . . 54.02 110.946 175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.8 p -61.36 -30.74 70.72 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.456 0.702 . . . . 71.34 111.251 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -61.8 -45.89 91.91 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.214 1.006 . . . . 54.25 111.035 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -70.2 -34.9 73.5 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.385 0.674 . . . . 64.25 111.999 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 61.5 mtp -68.4 -28.45 67.11 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.933 0.893 . . . . 74.34 111.95 175.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.96 -18.13 64.99 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 122.971 0.508 . . . . 62.45 112.079 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.0 m -75.34 77.08 2.43 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.783 0.801 . . . . 72.11 110.477 171.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.588 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 28.0 t70 -65.4 -36.84 85.17 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.476 1.111 . . . . 71.2 111.945 -176.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.08 -42.21 89.87 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.956 1.302 . . . . 65.33 113.428 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.9 mt -81.15 -3.91 53.67 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 114.05 1.13 . . . . 72.34 114.05 -172.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.636 ' HD2' ' HB2' ' A' ' 77' ' ' ASP . 9.5 mtmp? -67.3 -30.22 70.02 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.264 0.838 . . . . 73.11 113.264 -178.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -113.46 -36.19 5.03 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.319 0.648 . . . . 73.25 111.887 173.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 51.0 mm -71.16 99.37 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-O 121.253 0.549 . . . . 73.12 111.63 -175.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -123.22 -48.15 1.99 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.045 0.938 . . . . 72.24 110.692 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -77.84 -77.57 0.15 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.166 0.587 . . . . 61.44 111.086 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 64.12 -73.39 0.05 Allowed 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 125.269 1.428 . . . . 72.31 113.764 176.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 27.8 ttt -73.02 105.7 4.59 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.025 0.93 . . . . 75.41 111.115 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.488 1.458 0 C-N-CA 123.609 0.764 . . . . 53.24 111.133 177.539 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.495 1.805 0 N-CA-C 111.74 0.274 . . . . 53.43 111.74 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 65.36 20.62 11.84 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 124.792 1.237 . . . . 74.1 111.788 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.9 ttm -72.96 134.16 81.31 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 123.458 0.703 . . . . 73.44 110.574 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -56.16 109.88 0.49 Allowed 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 122.394 2.063 . . . . 64.55 110.822 171.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.1 t -52.8 117.11 10.28 Favored Pre-proline 0 CA--C 1.561 1.371 0 C-N-CA 124.714 1.206 . . . . 73.14 112.628 -172.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -60.02 155.85 42.41 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 123.205 2.603 . . . . 72.24 114.574 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.2 m -73.31 145.31 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 115.351 -0.84 . . . . 71.42 111.63 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 p -89.96 131.77 35.68 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.229 0.611 . . . . 72.01 109.556 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.7 m -64.44 -70.63 0.21 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.031 0.532 . . . . 65.3 111.765 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -151.37 -150.12 0.33 Allowed 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 123.278 0.631 . . . . 62.55 110.371 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.42 -44.71 35.36 Favored 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 114.892 1.442 . . . . 62.4 114.892 -170.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -68.3 -51.93 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 CA-C-N 118.173 0.442 . . . . 71.14 111.672 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -65.99 -27.44 68.14 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.966 0.906 . . . . 74.0 112.283 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -77.02 -56.63 4.42 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 122.529 0.332 . . . . 74.1 110.668 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -59.54 -38.91 82.27 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.296 1.038 . . . . 72.41 113.21 -173.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.509 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.1 t -64.49 -52.72 56.44 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 122.649 0.379 . . . . 73.23 111.913 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -27.95 69.19 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 118.728 0.695 . . . . 60.43 112.532 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.0 -39.57 83.18 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.833 0.679 . . . . 71.21 112.833 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.1 ptp -75.04 -27.7 60.13 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.261 0.225 . . . . 71.14 110.951 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 81.3 mt -69.39 -35.09 75.45 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.921 0.488 . . . . 74.4 111.228 170.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 50.4 m -63.95 -44.29 93.26 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.037 0.535 . . . . 74.43 109.87 172.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.16 73.13 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.973 0.909 . . . . 72.12 111.871 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.27 -30.29 68.37 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.263 0.625 . . . . 65.12 111.735 173.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -86.48 -3.68 59.05 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.549 0.74 . . . . 74.41 112.544 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 21' ' ' THR . 16.0 mm100 -80.45 -9.73 59.75 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.438 0.695 . . . . 73.02 111.875 171.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 70' ' ' LEU . 15.2 t -59.01 -31.46 68.83 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.869 0.868 . . . . 71.12 112.084 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -118.06 135.63 54.06 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.451 1.1 . . . . 71.33 110.307 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -79.91 2.2 24.32 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.254 0.622 . . . . 72.44 112.062 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -57.25 -31.13 65.24 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.794 0.838 . . . . 71.44 113.018 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.588 ' HB3' HD22 ' A' ' 83' ' ' LEU . 51.0 p-80 -62.4 -33.15 74.21 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 118.336 0.516 . . . . 73.02 111.815 176.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.9 t -74.81 -52.69 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.086 0.555 . . . . 50.04 110.647 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.45 90.92 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.156 0.982 . . . . 63.33 113.061 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.524 HG21 ' HA ' ' A' ' 84' ' ' CYS . 81.9 mt -73.9 -29.91 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.955 0.902 . . . . 75.21 110.777 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.53 31.86 12.63 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-N 116.386 -0.37 . . . . 52.33 113.171 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.22 110.81 22.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.785 0.834 . . . . 61.21 109.773 174.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 5.4 m-20 -70.28 109.78 4.89 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.246 0.546 . . . . 75.13 110.563 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.0 p -68.07 -5.82 19.58 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.15 1.167 . . . . 35.3 114.15 -172.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.38 -36.74 77.09 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 123.133 0.573 . . . . 72.4 112.264 172.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 11.5 ptp180 -73.75 -34.2 64.64 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 122.691 0.396 . . . . 73.33 110.302 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 44' ' ' ILE . 88.9 mt -65.42 -51.38 60.69 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.322 0.649 . . . . 71.42 110.535 177.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -62.45 -35.73 80.2 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.143 0.977 . . . . 62.0 112.585 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.23 67.94 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.632 0.773 . . . . 53.12 112.556 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -77.41 -30.41 53.5 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 122.445 0.298 . . . . 72.33 111.617 172.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.471 HG23 ' HB2' ' A' ' 93' ' ' ALA . 73.9 mt -63.42 -38.1 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 CA-C-O 121.316 0.579 . . . . 64.35 109.516 168.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -61.0 -41.38 96.42 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.104 1.362 . . . . 54.21 113.128 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -31.76 58.61 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 116.425 -0.352 . . . . 75.43 111.232 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.457 ' HA ' ' NH2' ' A' ' 50' ' ' ARG . 74.3 m -66.95 -49.2 66.2 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.407 0.683 . . . . 75.31 112.324 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.3 tt -66.58 -33.07 61.03 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.342 0 C-N-CA 123.026 0.531 . . . . 72.44 111.779 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -66.43 -25.71 66.88 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.508 0.929 . . . . 61.31 113.508 -174.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' NH2' ' HA ' ' A' ' 47' ' ' CYS . 74.8 mtm-85 -67.36 -49.95 61.86 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 121.749 -0.595 . . . . 74.03 112.433 -177.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.13 -41.9 12.0 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.123 0.569 . . . . 71.32 112.509 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 59' ' ' TYR . 22.0 t -93.51 -11.11 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 123.967 0.907 . . . . 60.22 112.367 -171.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.65 28.74 0.49 Allowed Glycine 0 CA--C 1.54 1.631 0 N-CA-C 117.024 1.57 . . . . 72.43 117.024 -173.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -64.98 -21.86 66.91 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 117.925 0.862 . . . . 72.01 110.733 161.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t 50.1 29.88 3.85 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 126.989 2.116 . . . . 72.11 114.197 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -94.22 -82.72 0.35 Allowed 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 115.799 -0.637 . . . . 71.02 110.683 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.1 ttp -119.22 -44.03 2.6 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.387 1.075 . . . . 64.2 110.214 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HG2' HG13 ' A' ' 52' ' ' VAL . 45.0 tttp -52.58 -46.9 67.09 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.285 1.434 . . . . 65.11 112.274 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.476 ' O ' HG23 ' A' ' 63' ' ' VAL . 37.2 t80 -58.52 -51.09 71.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.255 1.022 . . . . 75.5 111.967 -177.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -55.23 -50.96 68.1 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.552 0.741 . . . . 73.31 112.131 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -73.06 -34.32 66.2 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.344 0.657 . . . . 74.53 112.356 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -68.41 -36.02 78.49 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.515 0.726 . . . . 64.51 111.197 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 59' ' ' TYR . 95.1 t -65.15 -44.64 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 CA-C-N 115.868 -0.605 . . . . 72.04 110.817 172.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -64.02 -33.36 75.57 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 122.78 0.432 . . . . 74.44 111.882 176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.9 t -65.24 -40.91 94.66 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.556 0.742 . . . . 65.31 110.576 174.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HE ' ' HG ' ' A' ' 70' ' ' LEU . 6.7 tpm_? -61.9 -46.78 87.87 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.399 0.68 . . . . 65.32 111.115 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.0 -50.79 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.919 0.888 . . . . 64.23 111.925 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.3 p -66.48 -42.68 87.1 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.392 0.677 . . . . 74.2 111.832 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -63.88 -22.53 66.96 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.557 0.743 . . . . 74.33 112.728 172.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.503 ' O ' HG21 ' A' ' 26' ' ' THR . 76.8 mt -83.46 -23.48 32.22 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 112.271 0.471 . . . . 73.53 112.271 170.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -106.21 6.56 30.91 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 113.636 0.976 . . . . 73.23 113.636 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.71 121.62 24.96 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 118.039 0.381 . . . . 72.01 111.675 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.09 -9.86 58.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 114.534 1.309 . . . . 74.04 114.534 -172.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -84.31 -21.74 30.89 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.585 0.587 . . . . 74.21 112.585 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -130.48 88.95 45.6 Favored Pre-proline 0 N--CA 1.493 1.702 0 C-N-CA 123.225 0.61 . . . . 74.11 109.555 172.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -81.04 -24.06 4.95 Favored 'Trans proline' 0 C--N 1.374 1.879 0 C-N-CA 122.677 2.251 . . . . 75.35 114.309 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.26 -33.98 75.66 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.886 1.275 . . . . 71.11 112.044 -174.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.2 tp -51.26 -53.92 30.84 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.168 1.387 . . . . 53.33 113.662 -172.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.684 ' HD2' ' H ' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -74.7 -36.2 62.74 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 115.884 -0.598 . . . . 72.22 111.359 -168.128 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -61.72 -36.93 82.38 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.259 0.35 . . . . 73.2 111.223 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.589 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 65.1 m-80 -64.53 -35.58 81.42 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.522 0.564 . . . . 73.13 112.522 172.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.2 t -68.76 -39.92 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 CA-C-O 121.315 0.579 . . . . 62.54 110.724 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 30' ' ' HIS . 85.3 mt -79.66 -15.25 57.93 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.92 0.888 . . . . 63.15 112.21 -177.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.589 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 17.4 p -96.78 -13.67 22.47 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.061 0.544 . . . . 63.45 111.324 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.6 8.55 63.83 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 114.341 0.496 . . . . 71.24 114.341 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.09 -52.42 23.95 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.317 0.647 . . . . 72.35 110.794 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 73.7 mt -91.15 122.85 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 108.696 -0.853 . . . . 71.21 108.696 167.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 p -75.53 155.8 85.37 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 122.753 0.421 . . . . 74.04 110.891 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -54.66 -28.07 54.53 Favored 'Trans proline' 0 C--N 1.374 1.921 0 C-N-CA 122.918 2.412 . . . . 74.02 113.886 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -43.7 53.69 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.501 0.72 . . . . 73.53 110.798 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -66.44 -45.75 78.77 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.149 0.579 . . . . 71.14 112.205 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.4 tp -60.09 -35.76 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-O 120.644 0.259 . . . . 70.3 111.278 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.471 ' HB2' HG23 ' A' ' 44' ' ' ILE . . . -66.74 -39.53 87.99 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.511 0.725 . . . . 62.32 112.621 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.2 m -92.51 -19.39 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 113.959 1.096 . . . . 64.32 113.959 -172.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 95' ' ' MET . 61.7 mtm -69.19 138.46 54.09 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 118.382 0.537 . . . . 71.32 111.192 177.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.7 p -74.5 166.97 22.63 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.168 0.587 . . . . 61.32 111.911 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 92.9 p -59.93 -31.46 69.87 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.101 0.561 . . . . 63.24 111.78 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.19 -40.5 97.67 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.713 0.805 . . . . 73.2 112.169 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.67 -47.96 57.25 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.706 0.765 . . . . 71.4 110.871 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.433 ' SD ' ' NH1' ' A' ' 66' ' ' ARG . 66.9 mtm -75.78 -23.59 55.93 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 114.738 -1.119 . . . . 62.02 113.41 -172.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -111.73 10.01 20.91 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.795 0.838 . . . . 71.44 111.817 -178.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.3 t -60.49 125.83 25.18 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.98 0.733 . . . . 75.13 112.98 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -67.81 -18.51 64.87 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.786 0.835 . . . . 64.24 112.242 173.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -74.95 -56.9 4.28 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 109.383 -0.599 . . . . 60.13 109.383 171.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.9 mt -74.42 -5.45 42.53 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 114.098 1.148 . . . . 71.51 114.098 -172.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -73.35 6.21 3.08 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 113.515 0.931 . . . . 74.14 113.515 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -154.2 17.17 0.49 Allowed 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 113.212 0.819 . . . . 72.31 113.212 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 45.1 mm -88.3 5.82 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 CA-C-O 121.499 0.666 . . . . 72.04 112.005 -176.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 109' ' ' ARG . 38.8 ttp180 -59.07 153.2 18.38 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.147 -0.97 . . . . 63.34 110.45 165.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 79.09 -46.25 0.38 Allowed 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 125.613 1.565 . . . . 65.04 110.767 -170.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.9 83.03 1.21 Allowed 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 121.588 0.708 . . . . 50.14 110.409 173.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 51.4 ttm -140.84 -25.27 0.75 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.357 1.063 . . . . 74.35 110.33 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 CA--C 1.569 1.692 0 C-N-CA 123.72 0.808 . . . . 73.11 111.538 177.844 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.5 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 121.021 0.439 . . . . 70.25 112.087 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -163.32 -49.39 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.76 1.224 . . . . 73.0 109.101 177.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 69.1 mtm -71.56 154.47 93.25 Favored Pre-proline 0 CA--C 1.555 1.142 0 CA-C-N 115.933 -0.576 . . . . 73.31 110.564 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -60.21 134.07 53.6 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 121.977 1.784 . . . . 55.31 110.803 168.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.4 m -52.15 136.14 39.34 Favored Pre-proline 0 N--CA 1.49 1.535 0 C-N-CA 124.01 0.924 . . . . 74.33 111.947 -175.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -66.78 141.05 57.96 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.083 1.856 . . . . 75.25 113.259 -169.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.96 107.09 15.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 124.681 1.192 . . . . 70.0 109.645 -172.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.534 ' HA ' ' HB2' ' A' ' 14' ' ' ASN . 81.5 m 60.02 -83.27 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.557 1.143 . . . . 73.45 110.956 -169.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.2 m 50.86 54.54 11.05 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.39 1.076 . . . . 71.44 111.015 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.517 ' HB3' HH21 ' A' ' 13' ' ' ARG . 25.7 t70 65.13 167.02 0.18 Allowed 'General case' 0 CA--C 1.571 1.765 0 C-N-CA 124.289 1.036 . . . . 64.52 111.236 -171.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.56 -11.27 15.52 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 114.345 1.239 . . . . 62.2 114.345 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.8 t -71.86 -63.4 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 CA-C-N 118.829 0.74 . . . . 63.3 111.435 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.517 HH21 ' HB3' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -69.46 -34.97 75.16 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.272 0.629 . . . . 73.01 111.949 -170.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.534 ' HB2' ' HA ' ' A' ' 8' ' ' THR . 64.5 t30 -64.9 -49.06 71.92 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 110.187 -0.301 . . . . 52.42 110.187 176.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -60.92 -41.53 96.36 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.271 0.628 . . . . 75.15 112.179 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -56.9 -46.07 82.17 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.961 0.504 . . . . 62.03 111.258 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -65.79 -42.09 91.16 Favored 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 123.89 0.876 . . . . 73.23 110.862 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.75 -39.01 93.23 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 124.278 1.031 . . . . 64.55 112.472 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.2 mtm -74.39 -37.34 63.44 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.564 0.746 . . . . 71.35 111.488 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.14 -36.47 79.73 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.568 0.347 . . . . 73.33 110.819 172.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.573 HG23 ' SG ' ' A' ' 37' ' ' CYS . 66.5 m -64.96 -42.89 94.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.319 0.648 . . . . 65.53 111.011 174.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.96 -32.77 74.66 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.608 0.763 . . . . 65.32 111.538 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -70.01 -28.26 65.35 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.737 0.815 . . . . 71.34 111.671 172.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD22 ' HE1' ' A' ' 30' ' ' HIS . 95.0 mt -86.7 -16.07 37.61 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.375 0.67 . . . . 70.15 112.388 173.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -104.24 -2.0 26.3 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 123.811 0.845 . . . . 74.41 112.715 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -58.87 -33.09 70.08 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.151 0.5 . . . . 73.43 111.599 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -89.03 -29.36 19.52 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.021 0.928 . . . . 73.23 112.273 176.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 m80 62.84 5.9 1.96 Allowed 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 124.923 1.289 . . . . 64.34 113.001 -171.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.41 -24.65 60.31 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.918 0.887 . . . . 72.34 110.706 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' HD2' ' HB3' ' A' ' 35' ' ' ALA . 2.2 m80 -55.52 -41.02 72.54 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.887 0.875 . . . . 74.42 111.748 170.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.4 t -68.42 -37.64 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 123.232 0.613 . . . . 65.32 110.972 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.65 85.81 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.802 0.841 . . . . 70.45 112.244 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.0 mt -78.31 -26.5 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.631 0.773 . . . . 74.33 110.992 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.89 0.74 68.32 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-N 116.43 -0.35 . . . . 45.04 113.079 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB3' ' HD2' ' A' ' 30' ' ' HIS . . . -78.14 110.64 13.29 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.551 0.74 . . . . 55.1 110.479 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.05 129.19 37.52 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.562 0.345 . . . . 53.42 110.865 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' SG ' HG23 ' A' ' 21' ' ' THR . 7.7 p -73.82 -31.67 63.34 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.382 1.253 . . . . 74.42 114.382 -172.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.35 -41.35 73.27 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 123.051 0.541 . . . . 71.55 112.366 -172.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -65.06 -33.3 75.72 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.287 0.635 . . . . 72.23 111.205 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 44' ' ' ILE . 73.1 mt -67.0 -55.39 14.66 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.12 0.568 . . . . 72.35 110.611 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -60.03 -32.46 70.92 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.922 0.889 . . . . 75.4 112.429 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.77 -41.9 86.99 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.5 0.72 . . . . 73.5 112.239 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -71.64 -33.55 69.02 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.955 0.502 . . . . 61.32 111.612 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 40' ' ' LEU . 79.6 mt -61.92 -45.54 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.438 0.695 . . . . 73.31 109.873 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -69.71 -34.36 73.79 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.422 -0.808 . . . . 71.42 111.586 -177.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -34.58 72.66 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 113.965 1.098 . . . . 72.35 113.965 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.0 m -76.61 -49.24 16.77 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.004 0.372 . . . . 71.21 112.004 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.582 HG21 HH12 ' A' ' 66' ' ' ARG . 3.7 tt -70.3 -34.54 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 123.631 0.772 . . . . 62.24 112.411 -177.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.98 -25.3 60.84 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.734 1.214 . . . . 71.32 113.233 -172.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -67.31 -50.45 60.14 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.594 0.758 . . . . 75.43 111.419 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -90.23 -47.39 7.81 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.865 0.866 . . . . 55.2 112.741 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.452 ' HB ' HG12 ' A' ' 48' ' ' ILE . 56.6 t -102.26 -18.19 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 124.381 1.073 . . . . 60.42 112.659 -170.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.45 30.39 1.01 Allowed Glycine 0 CA--C 1.547 2.09 0 N-CA-C 115.828 1.091 . . . . 73.41 115.828 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -82.89 6.2 19.27 Favored 'General case' 0 CA--C 1.565 1.529 0 C-N-CA 125.732 1.613 . . . . 70.25 112.508 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.1 p 61.73 21.85 12.51 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 125.615 1.566 . . . . 74.0 113.411 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.82 170.64 16.24 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.236 1.015 . . . . 72.31 111.07 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.0 ttm -51.96 -34.91 44.22 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.757 1.223 . . . . 70.35 112.194 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -54.08 -51.2 64.88 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.21 1.004 . . . . 60.24 111.659 171.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -66.64 -37.82 85.6 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.481 1.112 . . . . 75.22 112.177 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -64.11 -44.98 90.62 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.122 0.569 . . . . 75.21 110.944 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -68.24 -39.08 82.38 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-N 115.596 -0.729 . . . . 71.11 111.504 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -67.68 -42.8 81.52 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.734 0.814 . . . . 74.32 112.682 -176.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.3 t -67.76 -47.19 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 122.829 0.452 . . . . 53.24 111.255 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.549 ' HA ' HD12 ' A' ' 67' ' ' ILE . 39.6 ptt180 -64.88 -28.91 69.86 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 112.121 0.415 . . . . 63.22 112.121 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -59.12 -41.54 88.46 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.354 0.662 . . . . 75.43 111.564 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.582 HH12 HG21 ' A' ' 48' ' ' ILE . 99.3 mtt180 -64.54 -54.05 38.36 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.976 0.511 . . . . 74.51 111.083 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 64' ' ' ARG . 60.3 mt -51.9 -43.98 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 124.499 1.12 . . . . 71.5 111.508 -176.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.5 t -58.07 -51.83 68.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.475 1.11 . . . . 61.41 111.94 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 100' ' ' MET . 61.6 t30 -72.37 -28.08 62.79 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.132 0.973 . . . . 71.14 112.34 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 90.4 mt -82.9 -4.84 58.64 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.008 0.923 . . . . 71.01 112.337 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.432 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.5 ptpt -121.17 5.37 10.31 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.216 0.606 . . . . 72.14 111.011 169.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.99 131.06 37.22 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.263 0.625 . . . . 45.3 112.068 -171.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.92 62.85 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.039 0.936 . . . . 74.11 112.854 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.2 -24.32 37.53 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.59 0.756 . . . . 73.51 110.9 -175.556 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -122.66 81.02 48.12 Favored Pre-proline 0 CA--C 1.562 1.441 0 C-N-CA 122.965 0.506 . . . . 64.24 110.373 169.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -83.64 -20.94 4.43 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.731 2.288 . . . . 64.34 112.694 170.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.98 -50.17 73.49 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.48 1.112 . . . . 63.1 112.544 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.545 HD21 HD13 ' A' ' 92' ' ' ILE . 68.0 tp -55.43 -55.19 34.63 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.555 0.742 . . . . 73.1 112.256 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -71.81 -30.27 65.33 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.571 0.748 . . . . 73.11 112.607 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 83' ' ' LEU . 2.7 tmt_? -69.94 -36.23 75.14 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.924 0.89 . . . . 72.02 109.901 178.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.447 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 91.8 m-20 -67.17 -41.73 85.44 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.713 -0.676 . . . . 73.52 111.121 172.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.89 -30.08 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.615 0 C-N-CA 122.842 0.457 . . . . 70.02 111.347 175.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 80' ' ' ARG . 45.5 mt -61.64 -53.96 49.18 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.77 0.828 . . . . 32.01 110.864 174.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 26.3 p -81.37 -10.76 59.47 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.831 0.853 . . . . 60.44 112.692 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.86 64.43 1.87 Allowed Glycine 0 CA--C 1.537 1.451 0 C-N-CA 122.799 0.238 . . . . 70.22 113.225 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.49 -54.21 2.47 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.188 0.995 . . . . 64.15 109.929 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 81' ' ' ASN . 1.7 mp -80.64 127.25 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 N-CA-C 109.033 -0.729 . . . . 71.34 109.033 170.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.2 p -76.92 148.52 79.0 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 115.885 -0.598 . . . . 61.31 110.63 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.91 -21.9 60.1 Favored 'Trans proline' 0 C--N 1.372 1.779 0 C-N-CA 122.502 2.135 . . . . 60.32 114.243 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -71.86 -34.12 68.96 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 117.735 0.243 . . . . 72.22 111.445 174.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -61.78 -59.38 5.24 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.984 0.514 . . . . 74.42 111.213 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.545 HD13 HD21 ' A' ' 78' ' ' LEU . 7.1 tp -60.92 -20.94 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 CA-C-O 121.296 0.569 . . . . 62.14 112.046 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.504 ' HA ' ' NH2' ' A' ' 66' ' ' ARG . . . -73.1 -46.96 48.31 Favored 'General case' 0 CA--C 1.557 1.229 0 N-CA-C 112.477 0.547 . . . . 75.51 112.477 173.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.8 m -88.26 -24.52 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 N-CA-C 113.254 0.835 . . . . 73.23 113.254 -172.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.446 ' SD ' HD11 ' A' ' 105' ' ' LEU . 67.0 mtm -70.45 128.82 37.47 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.282 0.475 . . . . 71.13 112.282 -175.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.1 p -63.83 167.35 6.14 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.979 0.912 . . . . 74.54 111.046 177.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.7 t -61.86 -29.04 69.92 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 112.023 0.379 . . . . 64.25 112.023 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.45 -36.61 81.51 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.525 0.73 . . . . 61.05 110.812 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.564 ' HA ' ' HB2' ' A' ' 102' ' ' SER . 10.2 mm-40 -77.76 -34.56 52.38 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.482 0.713 . . . . 71.5 111.404 177.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.454 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 67.1 mtp -65.57 -24.76 67.16 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.799 0.84 . . . . 71.41 111.394 175.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.75 5.88 23.13 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.218 1.007 . . . . 64.02 112.354 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.564 ' HB2' ' HA ' ' A' ' 99' ' ' GLU . 47.5 t -61.84 131.24 49.16 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 113.813 1.042 . . . . 74.13 113.813 -171.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -61.37 -26.13 67.62 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.784 0.834 . . . . 73.44 111.785 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -59.29 -58.99 6.21 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.31 0.644 . . . . 54.15 110.494 172.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.446 HD11 ' SD ' ' A' ' 95' ' ' MET . 64.5 mt -68.13 -27.49 66.5 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 112.949 0.722 . . . . 73.43 112.949 -177.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.434 ' HZ2' ' HB2' ' A' ' 106' ' ' LYS . 10.5 mtmp? -70.48 -12.19 61.41 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.674 0.39 . . . . 73.51 111.877 175.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -112.13 -21.42 11.5 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.798 0.839 . . . . 75.54 112.188 170.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.613 HG23 ' HB3' ' A' ' 111' ' ' ALA . 47.4 mm -84.49 76.69 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-O 122.731 1.253 . . . . 74.34 108.679 174.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -106.65 108.33 19.79 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-N 113.852 -1.522 . . . . 72.33 109.166 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? 63.49 12.47 6.41 Favored 'General case' 0 CA--C 1.576 1.949 0 C-N-CA 123.625 0.77 . . . . 73.24 111.585 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.613 ' HB3' HG23 ' A' ' 108' ' ' ILE . . . -76.58 83.05 3.25 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.504 0.722 . . . . 55.02 111.325 -175.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.6 ptp -90.52 -7.66 52.36 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 115.246 -0.888 . . . . 73.02 111.729 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.8 m . . . . . 0 N--CA 1.491 1.623 0 C-N-CA 125.24 1.416 . . . . 75.21 112.011 178.515 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 112.105 0.409 . . . . 65.12 112.105 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -71.77 87.8 0.98 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.364 0.602 . . . . 73.44 110.096 173.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.422 ' SD ' ' NH2' ' A' ' 50' ' ' ARG . 31.2 mtm -84.74 128.85 59.2 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 123.999 0.92 . . . . 72.23 110.328 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.23 122.36 9.41 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.181 1.921 . . . . 65.54 111.698 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.491 HG22 ' HG2' ' A' ' 46' ' ' GLU . 57.7 t -68.24 119.96 71.35 Favored Pre-proline 0 CA--C 1.559 1.31 0 C-N-CA 123.072 0.549 . . . . 61.23 109.683 176.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 46' ' ' GLU . 28.7 Cg_endo -60.6 160.85 22.79 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.73 2.287 . . . . 74.34 113.032 178.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.0 m -68.97 161.24 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 123.645 0.778 . . . . 74.32 111.345 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.429 ' HA ' HH11 ' A' ' 13' ' ' ARG . 40.5 p -65.23 92.7 0.12 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.195 0.598 . . . . 64.42 110.777 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.4 m -54.77 -48.12 73.06 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.116 1.366 . . . . 72.22 112.599 -175.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -154.38 168.42 26.7 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 114.585 -1.189 . . . . 74.14 109.167 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.55 -28.49 65.56 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.696 0.798 . . . . 61.0 111.796 173.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.06 -55.55 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 123.33 0.652 . . . . 73.22 111.218 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.429 HH11 ' HA ' ' A' ' 8' ' ' THR . 3.1 tmt_? -62.74 -42.92 99.9 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.435 0.694 . . . . 75.31 111.184 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.75 -42.86 94.85 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.023 0.529 . . . . 74.2 111.134 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -62.6 -46.31 88.87 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.241 0.616 . . . . 71.33 111.319 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -57.86 -46.34 84.95 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.002 0.921 . . . . 73.44 111.625 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -57.61 -45.96 84.67 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.809 1.244 . . . . 64.32 111.442 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -77.28 -25.7 51.67 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.493 0.923 . . . . 72.33 113.493 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.1 mtm -75.04 -31.57 61.34 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.818 0.447 . . . . 64.02 111.263 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 45' ' ' GLU . 62.2 mt -70.17 -34.01 72.47 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.342 0.257 . . . . 72.33 110.682 170.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.7 m -61.24 -47.1 87.59 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.838 0.455 . . . . 62.41 110.332 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -59.99 -35.68 75.54 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.096 0.959 . . . . 33.23 111.817 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.67 95.25 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.663 0.785 . . . . 65.23 111.634 172.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.588 HD21 HD22 ' A' ' 70' ' ' LEU . 98.2 mt -78.04 -6.96 56.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 113.552 0.945 . . . . 71.12 113.552 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 4.6 pt20 -125.21 13.17 8.3 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.135 0.574 . . . . 73.02 112.047 177.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -57.42 -35.66 70.34 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.766 0.654 . . . . 74.41 112.766 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -118.58 24.25 11.01 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.807 0.843 . . . . 72.5 110.745 174.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.8 m80 53.83 38.32 28.37 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.713 0.805 . . . . 71.13 110.501 -166.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -57.04 -43.19 81.7 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.672 1.189 . . . . 64.54 113.042 -164.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -64.8 -30.22 71.22 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.211 0.819 . . . . 73.22 113.211 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.8 -36.49 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 C-N-CA 123.527 0.731 . . . . 62.43 111.463 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.33 70.22 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.251 0.62 . . . . 53.43 111.931 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -90.47 -29.39 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 C-N-CA 124.028 0.931 . . . . 71.14 111.852 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.81 10.12 57.97 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 122.391 -0.193 . . . . 71.54 113.376 -173.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.1 159.26 26.16 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.992 0.917 . . . . 64.12 112.393 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.472 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 8.3 m-20 -107.37 96.25 6.28 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.826 0.85 . . . . 73.44 109.772 175.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.7 p -68.45 -33.4 74.11 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 114.079 1.14 . . . . 53.44 114.079 -166.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -37.64 87.92 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 112.963 0.727 . . . . 74.21 112.963 -175.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 14.8 ptp180 -82.85 -29.99 28.98 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.608 0.363 . . . . 64.24 111.244 177.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 75.0 mt -66.27 -43.67 85.78 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.537 0.335 . . . . 74.22 111.202 176.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.411 ' HB3' HD12 ' A' ' 24' ' ' LEU . 93.1 p -65.62 -35.9 82.15 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.978 0.911 . . . . 73.31 111.491 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.71 91.25 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.471 0.709 . . . . 64.35 111.519 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 59.5 mt-30 -67.5 -40.06 85.19 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.334 0.653 . . . . 71.23 111.365 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 40' ' ' LEU . 74.7 mt -61.13 -53.88 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-O 121.314 0.578 . . . . 64.24 110.733 177.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.639 ' HB3' HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -69.97 -32.44 70.67 Favored 'General case' 0 C--O 1.209 -1.066 0 CA-C-N 115.459 -0.791 . . . . 74.5 112.553 -173.474 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.519 ' HB2' ' HD2' ' A' ' 6' ' ' PRO . 1.8 pp20? -73.62 -32.87 64.28 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 118.97 0.804 . . . . 63.02 112.009 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.5 m -59.91 -49.69 76.7 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.1 0.56 . . . . 71.33 111.11 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.9 tt -76.42 -25.01 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.531 0 CA-C-N 115.978 -0.555 . . . . 71.42 111.392 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -72.85 -31.85 65.04 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 123.435 0.694 . . . . 74.01 111.8 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' NH2' ' SD ' ' A' ' 3' ' ' MET . 47.0 mtm105 -72.53 -19.73 61.46 Favored 'General case' 0 CA--C 1.558 1.262 0 O-C-N 121.806 -0.559 . . . . 74.04 111.523 174.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -91.31 -41.73 10.77 Favored 'General case' 0 CA--C 1.569 1.688 0 C-N-CA 123.716 0.807 . . . . 75.53 112.541 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.565 HG13 ' HE2' ' A' ' 58' ' ' LYS . 71.6 t -113.34 -10.34 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 125.137 1.375 . . . . 74.24 112.53 -164.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.98 2.16 1.08 Allowed Glycine 0 N--CA 1.486 2.009 0 N-CA-C 117.132 1.613 . . . . 72.45 117.132 -171.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -63.64 -13.05 38.82 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.855 0.862 . . . . 72.22 111.588 167.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p 60.9 -91.46 0.03 OUTLIER 'General case' 0 C--N 1.359 1.01 0 C-N-CA 126.496 1.919 . . . . 73.42 111.895 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 t70 56.68 -74.96 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 125.047 1.339 . . . . 72.23 112.129 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.6 ttp -147.25 -41.29 0.18 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.395 1.078 . . . . 71.01 110.313 171.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HE2' HG13 ' A' ' 52' ' ' VAL . 21.4 ptmt -55.16 -40.64 70.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.523 1.129 . . . . 62.44 113.798 -170.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.423 ' O ' HG23 ' A' ' 63' ' ' VAL . 54.8 t80 -59.39 -49.07 79.24 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.257 0.466 . . . . 62.22 112.257 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.36 -44.25 96.91 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.401 0.68 . . . . 72.43 111.738 -176.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -67.69 -43.28 80.5 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.584 0.753 . . . . 73.34 111.906 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' A' ' 58' ' ' LYS . 3.7 mpt_? -64.6 -35.58 81.46 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.589 0.755 . . . . 74.31 111.714 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 59' ' ' TYR . 62.6 t -64.38 -48.97 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 122.63 0.372 . . . . 54.13 110.625 173.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -53.25 -41.41 65.45 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 123.686 0.794 . . . . 73.52 112.229 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.0 m -68.02 -42.54 80.47 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 115.785 -0.643 . . . . 71.34 111.397 175.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -33.33 72.39 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.033 0.533 . . . . 62.14 112.016 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.486 HG22 ' HD2' ' A' ' 71' ' ' LYS . 73.9 mt -60.15 -53.06 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 108.805 -0.813 . . . . 72.31 108.805 172.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 t -54.96 -36.25 65.13 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.6 1.16 . . . . 61.3 112.36 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -76.0 -33.26 59.69 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.564 0.745 . . . . 73.23 112.268 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.588 HD22 HD21 ' A' ' 24' ' ' LEU . 69.7 mt -88.04 -6.08 58.14 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 122.825 0.45 . . . . 73.2 112.023 -177.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.486 ' HD2' HG22 ' A' ' 67' ' ' ILE . 19.1 ptmt -121.48 15.09 11.19 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.765 0.826 . . . . 72.4 110.41 173.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -62.95 133.35 54.49 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.326 0.861 . . . . 64.42 113.326 -163.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.9 -36.46 49.56 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 114.5 -1.227 . . . . 53.4 110.982 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -67.91 -49.28 62.78 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 115.652 -0.704 . . . . 72.13 110.943 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -115.79 90.13 26.0 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.955 0.902 . . . . 62.31 109.746 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.72 -29.47 29.28 Favored 'Trans proline' 0 C--N 1.374 1.915 0 C-N-CA 122.35 2.033 . . . . 75.24 111.373 171.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.588 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 13.9 m-20 -70.36 -19.86 63.01 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.436 -0.802 . . . . 74.04 112.311 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 100' ' ' MET . 26.8 tp -60.22 -54.78 41.78 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.209 0.604 . . . . 63.4 111.776 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -68.3 -41.41 80.96 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.372 0.669 . . . . 72.33 111.474 172.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.588 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 52.4 ttt180 -56.81 -41.35 77.62 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.586 1.154 . . . . 72.2 112.478 -177.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -65.03 -40.64 95.15 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.308 0.643 . . . . 73.51 111.418 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.419 HG21 HG12 ' A' ' 92' ' ' ILE . 40.6 t -67.56 -42.63 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.058 0.543 . . . . 62.3 110.544 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 73.0 mt -68.87 -28.67 66.92 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 115.217 -0.901 . . . . 64.34 111.562 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.1 t -82.45 -15.87 50.98 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.432 0.693 . . . . 51.32 111.483 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.07 2.34 80.84 Favored Glycine 0 CA--C 1.538 1.484 0 CA-C-O 119.343 -0.698 . . . . 51.22 114.332 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.61 -53.15 60.9 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.95 0.9 . . . . 51.41 111.659 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -101.01 123.02 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 108.529 -0.915 . . . . 74.33 108.529 168.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.2 p -70.58 145.96 93.24 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 123.175 0.59 . . . . 71.34 111.444 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.445 ' HA ' HG22 ' A' ' 92' ' ' ILE . 62.8 Cg_exo -47.44 -34.16 18.8 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 124.008 3.139 . . . . 71.35 115.802 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.82 -46.66 77.75 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.01 0.524 . . . . 71.51 110.856 176.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -63.04 -48.28 79.38 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.877 0.871 . . . . 53.43 111.545 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.445 HG22 ' HA ' ' A' ' 89' ' ' PRO . 10.6 tp -71.0 -11.35 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 112.177 0.436 . . . . 72.24 112.177 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.24 -34.36 28.85 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.317 0.647 . . . . 75.1 112.151 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.4 m -109.16 -22.84 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 113.529 0.937 . . . . 75.03 113.529 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 38.7 ttp -70.34 131.56 44.33 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.973 0.909 . . . . 62.53 111.169 -176.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.7 p -70.61 164.08 25.65 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.08 0.552 . . . . 74.4 112.314 -173.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 87.9 p -57.45 -43.48 84.0 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.432 0.901 . . . . 52.2 113.432 -169.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -64.48 -49.42 71.45 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.708 0.403 . . . . 75.22 111.314 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -57.56 -45.48 85.1 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.044 0.538 . . . . 74.22 111.247 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.54 ' HB3' HD11 ' A' ' 78' ' ' LEU . 65.0 mtm -58.97 -48.11 82.74 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.776 0.831 . . . . 55.54 111.944 178.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.18 -31.65 69.22 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.056 0.542 . . . . 52.11 111.78 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.0 m -90.16 102.33 15.05 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.34 0.656 . . . . 61.0 110.859 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -59.29 -25.78 64.41 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.301 0.64 . . . . 62.32 110.972 170.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' O ' HG12 ' A' ' 108' ' ' ILE . 3.1 mp0 -60.16 -48.06 83.32 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.76 1.224 . . . . 73.3 110.851 173.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.2 mt -78.48 -29.36 46.72 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 112.642 0.608 . . . . 73.22 112.642 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -65.2 -35.86 82.4 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 112.344 0.498 . . . . 75.42 112.344 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -79.57 -28.99 41.12 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.68 0.392 . . . . 73.11 111.654 175.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 104' ' ' GLU . 37.8 mm -79.38 90.57 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 CA-C-O 122.372 1.082 . . . . 64.45 111.789 -177.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -83.81 174.28 10.55 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.523 -1.217 . . . . 60.5 109.851 165.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.1 tptt 73.65 -51.11 0.7 Allowed 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 125.55 1.54 . . . . 75.11 112.004 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.405 ' HB3' HG22 ' A' ' 108' ' ' ILE . . . -71.57 -50.11 34.23 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.313 0.645 . . . . 73.14 110.721 171.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.2 mmt -123.91 91.9 3.56 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.286 0.634 . . . . 65.21 110.633 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.489 1.492 0 C-N-CA 123.88 0.872 . . . . 74.24 109.94 177.46 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 p . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 121.036 0.446 . . . . 41.31 111.688 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -157.37 135.58 11.09 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.674 1.189 . . . . 71.24 108.528 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 58.0 mtt -103.24 155.34 36.83 Favored Pre-proline 0 N--CA 1.489 1.475 0 C-N-CA 123.29 0.636 . . . . 62.43 110.256 -177.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.5 98.38 0.18 Allowed 'Trans proline' 0 C--N 1.371 1.716 0 C-N-CA 121.864 1.709 . . . . 72.12 111.06 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.475 HG11 ' HB1' ' A' ' 42' ' ' ALA . 49.1 t -58.48 118.18 26.1 Favored Pre-proline 0 N--CA 1.485 1.311 0 C-N-CA 123.355 0.662 . . . . 75.33 110.836 -175.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.38 160.32 35.87 Favored 'Trans proline' 0 C--N 1.373 1.848 0 C-N-CA 122.339 2.026 . . . . 75.32 113.408 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.4 m -78.14 160.37 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.189 0.596 . . . . 55.41 111.006 174.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.2 p -77.58 107.4 10.01 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.042 0.537 . . . . 72.5 111.629 -176.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.445 ' H ' ' HD3' ' A' ' 13' ' ' ARG . 36.7 t -71.86 -68.33 0.47 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.293 0.637 . . . . 64.02 110.455 177.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.59 164.39 12.11 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 108.332 -0.988 . . . . 72.12 108.332 166.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.11 1.66 5.55 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 113.403 0.89 . . . . 54.35 113.403 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.665 HG11 HG22 ' A' ' 55' ' ' THR . 58.6 t -58.54 -57.66 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 123.632 0.773 . . . . 70.41 112.172 174.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HD3' ' H ' ' A' ' 9' ' ' CYS . 4.6 ptm85 -68.15 -30.97 70.22 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.446 0.698 . . . . 64.4 111.991 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 38.2 t-20 -65.31 -44.08 88.98 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.037 0.535 . . . . 75.0 109.703 173.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -64.05 -36.44 84.0 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.958 0.903 . . . . 53.35 111.43 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.0 t -59.96 -53.51 56.99 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.587 0.755 . . . . 63.11 111.864 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -64.94 -31.67 73.01 Favored 'General case' 0 CA--C 1.556 1.179 0 O-C-N 123.138 0.274 . . . . 72.11 111.366 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 37.7 mm-40 -63.17 -40.94 98.98 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 122.792 0.437 . . . . 73.45 111.913 173.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 73.8 mtm -72.34 -38.0 68.7 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.172 0.589 . . . . 72.2 111.723 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.28 -41.69 85.06 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.73 0.412 . . . . 60.45 110.965 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.462 HG23 ' SG ' ' A' ' 37' ' ' CYS . 96.8 m -65.27 -31.74 73.04 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.296 0.638 . . . . 71.03 111.108 174.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.528 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -59.19 -37.65 77.92 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.247 0.619 . . . . 71.22 111.622 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.656 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -72.56 -31.05 64.95 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.618 0.767 . . . . 74.21 112.065 174.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.9 mt -82.37 -19.51 39.07 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.284 0.634 . . . . 74.34 112.205 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.528 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 16.8 pt20 -109.79 -4.18 16.23 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.489 0.715 . . . . 74.52 112.484 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 t -56.8 -33.29 66.54 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.655 0.741 . . . . 62.2 111.373 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -112.93 159.92 18.59 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.452 1.101 . . . . 54.13 108.813 163.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -82.06 44.09 0.83 Allowed 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.391 0.615 . . . . 74.42 110.41 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -72.45 -50.79 23.61 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.952 1.301 . . . . 75.42 110.617 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -60.77 -26.52 67.3 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.79 -0.641 . . . . 63.41 112.187 175.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -72.76 -41.98 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.234 0.614 . . . . 60.54 110.24 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.05 77.08 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.668 0.787 . . . . 73.32 111.893 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.9 mt -84.7 -22.53 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.402 0 C-N-CA 124.526 1.13 . . . . 74.41 111.648 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.74 50.46 9.15 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 113.696 0.238 . . . . 53.23 113.696 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.01 137.25 34.5 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.084 0.953 . . . . 43.45 110.858 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.14 103.57 8.16 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.3 0.64 . . . . 53.22 110.492 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' SG ' HG23 ' A' ' 21' ' ' THR . 16.2 p -66.84 -21.05 66.04 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.456 0.91 . . . . 75.41 113.456 -175.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -33.63 72.29 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.088 0.773 . . . . 61.12 113.088 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -84.33 -26.7 28.29 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.942 0.497 . . . . 62.3 111.749 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.4 -38.42 74.64 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.678 0.391 . . . . 62.44 111.498 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -62.56 -35.04 78.2 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.815 0.846 . . . . 54.15 111.687 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.475 ' HB1' HG11 ' A' ' 5' ' ' VAL . . . -60.27 -31.13 69.93 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.15 0.98 . . . . 73.24 112.201 173.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.511 ' HB3' ' HB2' ' A' ' 89' ' ' PRO . 6.3 tt0 -78.68 -24.35 45.13 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 112.755 0.65 . . . . 71.53 112.755 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.29 -44.36 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.112 -0.993 . . . . 72.32 108.632 163.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.54 -49.15 78.45 Favored 'General case' 0 CA--C 1.554 1.135 0 C-N-CA 124.73 1.212 . . . . 63.14 112.95 -175.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -50.39 -40.91 51.08 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 124.111 0.964 . . . . 70.34 112.024 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.607 ' SG ' ' HG2' ' A' ' 90' ' ' GLN . 65.8 m -77.67 -52.05 9.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.71 0.804 . . . . 64.41 112.182 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.8 tt -69.16 -25.07 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 122.725 0.41 . . . . 53.23 111.64 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.717 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 63.9 t80 -66.78 -26.03 66.76 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.69 0.796 . . . . 75.31 111.758 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -77.99 -38.13 45.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.526 0.73 . . . . 74.12 112.123 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.64 -56.84 3.13 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.881 0.697 . . . . 72.34 112.881 -176.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.516 HG12 ' HB2' ' A' ' 59' ' ' TYR . 1.3 t -115.81 -16.96 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 123.457 0.703 . . . . 75.24 112.239 -171.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.717 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -78.44 22.21 3.32 Favored Glycine 0 N--CA 1.482 1.721 0 N-CA-C 116.329 1.291 . . . . 72.52 116.329 -168.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -84.88 34.18 0.54 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.822 0.849 . . . . 65.31 111.431 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.665 HG22 HG11 ' A' ' 12' ' ' VAL . 27.7 p 53.74 33.62 17.2 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 125.312 1.445 . . . . 54.54 111.644 -169.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -67.26 164.71 17.74 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 125.319 1.448 . . . . 60.22 112.78 -173.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.8 ttm -60.95 -68.63 0.29 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.058 0.943 . . . . 64.42 111.627 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -57.68 -25.05 59.71 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 113.383 0.883 . . . . 70.35 113.383 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.516 ' HB2' HG12 ' A' ' 52' ' ' VAL . 33.3 t80 -51.44 -37.27 47.81 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.82 1.248 . . . . 74.31 113.552 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -68.23 -43.61 77.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.826 0.451 . . . . 75.33 111.807 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.423 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 5.6 m-80 -74.95 -29.68 61.0 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.168 0.587 . . . . 64.23 111.374 173.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -63.38 -42.65 98.83 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.143 0.577 . . . . 71.45 111.524 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.6 t -62.9 -55.12 25.61 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 CA-C-N 115.615 -0.72 . . . . 54.11 110.821 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.9 ptt180 -66.86 -30.17 70.27 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 112.643 0.608 . . . . 73.32 112.643 -174.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.0 m -72.63 -33.15 66.43 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 122.789 0.436 . . . . 64.41 111.625 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -72.37 -38.28 68.57 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.712 0.405 . . . . 74.5 110.587 173.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.656 HG23 ' HB2' ' A' ' 23' ' ' ALA . 95.7 mt -56.51 -42.71 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 124.119 0.967 . . . . 63.33 110.831 170.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.7 t -59.0 -39.03 80.57 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.819 0.847 . . . . 75.04 111.803 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -73.36 -28.84 62.26 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.069 0.548 . . . . 63.11 112.221 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.25 -15.4 60.99 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.4 0.68 . . . . 72.35 112.632 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -120.76 14.04 11.64 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.588 0.755 . . . . 74.41 111.536 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -82.46 149.83 27.38 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.388 0.675 . . . . 73.33 112.464 -170.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.46 -12.34 58.93 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.797 1.036 . . . . 71.21 113.797 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.69 -46.78 65.25 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 118.283 0.492 . . . . 74.12 111.223 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -156.01 89.33 2.84 Favored Pre-proline 0 CA--C 1.562 1.44 0 CA-C-N 116.385 -0.37 . . . . 62.22 111.144 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.98 -16.64 15.85 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.847 2.364 . . . . 71.41 112.014 168.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.53 -30.45 68.61 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.107 0.963 . . . . 55.21 111.413 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.47 -51.64 62.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.301 1.04 . . . . 73.31 111.578 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -56.34 -42.79 78.29 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.206 -0.907 . . . . 65.13 110.846 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -63.51 -41.49 98.52 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.386 0.674 . . . . 63.15 111.7 -178.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -61.93 -42.63 99.32 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.429 0.692 . . . . 75.21 111.796 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.2 t -66.64 -39.82 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 C-N-CA 122.952 0.501 . . . . 64.14 111.13 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.99 -33.48 74.71 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.647 0.779 . . . . 74.02 111.898 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.4 m -81.47 -14.11 57.39 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.461 0.704 . . . . 71.2 112.316 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.8 15.84 81.27 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 114.154 0.422 . . . . 60.3 114.154 -177.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.72 -58.83 5.21 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.627 0.771 . . . . 45.03 110.335 174.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.61 118.92 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 106.743 -1.577 . . . . 73.23 106.743 162.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.3 p -71.91 145.12 88.78 Favored Pre-proline 0 N--CA 1.48 1.046 0 N-CA-C 110.246 -0.279 . . . . 74.14 110.246 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.511 ' HB2' ' HB3' ' A' ' 43' ' ' GLN . 74.2 Cg_exo -53.97 -21.15 20.26 Favored 'Trans proline' 0 CA--C 1.565 2.042 0 C-N-CA 122.583 2.188 . . . . 73.52 114.283 173.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.607 ' HG2' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -67.36 -46.91 71.98 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.58 0.752 . . . . 72.11 109.628 172.547 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.67 -50.63 71.71 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.456 0.703 . . . . 75.02 111.638 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.507 HG22 ' HA ' ' A' ' 89' ' ' PRO . 8.2 tp -61.92 -30.42 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 112.571 0.582 . . . . 73.1 112.571 -170.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.29 75.4 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.584 0.754 . . . . 72.54 112.546 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.4 m -94.27 -19.18 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 123.168 0.587 . . . . 75.04 112.339 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 83.9 mtp -64.25 137.65 58.04 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.485 0.55 . . . . 71.31 112.485 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 100' ' ' MET . 17.2 m -68.09 147.76 51.88 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.182 0.993 . . . . 74.4 110.831 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.1 p -50.84 -45.22 59.54 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.081 0.952 . . . . 61.14 113.562 -175.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.08 -48.21 71.72 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 112.761 0.652 . . . . 74.13 112.761 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.16 -17.06 64.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 112.146 0.425 . . . . 75.4 112.146 -177.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 96' ' ' THR . 39.7 mtm -70.11 -52.49 23.24 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-O 121.053 0.454 . . . . 73.21 111.257 173.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.7 -17.7 18.42 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 114.3 1.222 . . . . 73.22 114.3 -168.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.0 t -78.35 97.98 5.81 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.548 0.339 . . . . 74.54 110.977 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.16 -26.37 68.14 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.151 0.581 . . . . 74.3 111.352 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.48 -44.06 80.24 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.427 0.691 . . . . 74.12 111.189 172.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.91 -24.45 60.83 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 112.425 0.528 . . . . 62.15 112.425 177.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -72.16 -31.76 66.24 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.891 0.476 . . . . 62.3 111.642 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.13 -24.38 23.39 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.148 0.579 . . . . 74.45 111.793 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 37.4 mm -76.84 -14.45 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 123.23 0.612 . . . . 75.41 111.557 172.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 -51.82 -39.94 59.61 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.093 0.957 . . . . 74.25 113.501 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -74.71 -63.68 1.2 Allowed 'General case' 0 N--CA 1.484 1.237 0 O-C-N 122.357 -0.214 . . . . 61.1 111.353 174.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 61.12 179.2 0.11 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 124.623 1.169 . . . . 72.0 113.385 -176.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.1 ttt 58.59 35.91 24.82 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 124.25 1.02 . . . . 71.01 111.251 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.486 1.369 0 C-N-CA 124.053 0.941 . . . . 75.22 112.094 -174.08 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 110.639 -0.134 . . . . 74.04 110.639 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -72.01 119.51 16.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.749 0.42 . . . . 71.41 110.676 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.5 mtt -69.18 133.81 89.52 Favored Pre-proline 0 CA--C 1.563 1.475 0 C-N-CA 122.909 0.484 . . . . 75.11 110.826 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -59.3 143.7 99.65 Favored 'Trans proline' 0 C--N 1.377 2.038 0 C-N-CA 123.435 2.757 . . . . 73.15 115.135 -170.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.8 t -79.7 133.7 58.58 Favored Pre-proline 0 CA--C 1.562 1.421 0 C-N-CA 124.192 0.997 . . . . 60.55 109.539 173.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.415 ' HG2' HH12 ' A' ' 13' ' ' ARG . 67.1 Cg_endo -71.41 161.15 46.5 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.248 1.965 . . . . 74.34 113.022 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.4 152.1 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 C-N-CA 123.715 0.806 . . . . 72.21 110.963 173.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.694 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 82.0 p -65.08 98.39 0.3 Allowed 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 121.315 0.579 . . . . 73.42 112.275 -173.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.5 m -70.88 95.39 1.15 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.434 -0.803 . . . . 74.22 110.665 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.6 t70 65.92 172.66 0.23 Allowed 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 125.184 1.393 . . . . 54.33 112.065 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.442 ' HA ' ' HB3' ' A' ' 14' ' ' ASN . . . -66.5 -13.77 61.36 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.614 0.766 . . . . 52.44 112.304 174.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.0 t -57.73 -62.18 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.391 0.677 . . . . 65.24 111.277 171.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.694 ' HD2' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -73.08 -33.94 65.92 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.163 0.585 . . . . 74.53 111.382 -179.493 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 3.1 t-20 -59.34 -56.35 23.24 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.447 0.299 . . . . 74.44 110.754 177.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 19' ' ' MET . 87.0 tttt -61.71 -32.72 72.95 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.129 0.572 . . . . 63.31 111.717 178.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -58.09 -48.25 80.73 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.201 0.6 . . . . 63.44 111.94 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -63.22 -43.48 97.96 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.023 0.529 . . . . 73.02 110.143 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 60.4 mm-40 -58.02 -49.25 77.53 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.117 0.567 . . . . 74.2 112.257 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 24.5 ptt? -75.93 -28.21 57.89 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 113.154 0.798 . . . . 71.52 113.154 -176.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 45' ' ' GLU . 55.4 mt -69.62 -32.79 71.7 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 122.105 -0.372 . . . . 62.34 111.431 169.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.5 m -67.2 -38.55 85.5 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 120.887 0.375 . . . . 72.24 110.288 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -61.3 -35.52 77.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.737 0.815 . . . . 61.3 111.721 176.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.56 -30.98 71.79 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.91 0.884 . . . . 71.32 112.427 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.7 mt -87.34 -30.74 20.59 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.812 0.671 . . . . 62.03 112.812 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.612 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 11.2 pt20 -94.82 -4.44 47.13 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 123.254 0.622 . . . . 74.13 112.215 -176.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -51.79 -34.31 39.27 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 123.717 0.807 . . . . 70.5 112.188 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -130.75 173.04 11.32 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.653 1.181 . . . . 65.02 109.735 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -95.08 35.91 1.25 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.272 0.629 . . . . 73.42 112.376 -171.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.57 -52.4 52.57 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.56 0.744 . . . . 51.12 109.882 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.497 ' HB3' HD22 ' A' ' 83' ' ' LEU . 13.2 p80 -63.68 -24.95 67.99 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 114.954 -1.021 . . . . 74.22 112.156 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -71.53 -48.89 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 122.767 0.427 . . . . 71.42 110.482 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.95 -34.58 74.95 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 115.565 -0.743 . . . . 55.31 111.938 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -81.19 -34.41 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 C-N-CA 123.796 0.838 . . . . 73.03 111.65 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.09 18.81 41.7 Favored Glycine 0 N--CA 1.481 1.693 0 C-N-CA 122.942 0.306 . . . . 74.52 113.098 -174.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.581 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -84.74 134.95 34.32 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.601 1.161 . . . . 63.21 112.416 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 7.0 m-20 -82.43 97.26 8.29 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.614 0.766 . . . . 70.53 109.519 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.3 p -62.2 -35.34 78.56 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.211 0.819 . . . . 52.02 113.211 -169.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.14 -51.12 70.42 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.371 0.668 . . . . 61.12 111.832 173.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 60.1 ttt180 -57.72 -45.58 85.57 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 114.633 -1.167 . . . . 73.21 111.739 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.581 HD11 ' HB1' ' A' ' 35' ' ' ALA . 58.8 mt -65.44 -46.32 80.35 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.382 0.673 . . . . 71.3 111.244 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -56.69 -38.7 72.62 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.103 0.961 . . . . 73.44 112.145 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.08 76.43 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.571 0.749 . . . . 70.42 111.892 176.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 16.2 mm-40 -77.07 -32.4 56.77 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.156 0.583 . . . . 61.41 111.002 177.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.31 -53.37 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-O 121.386 0.612 . . . . 73.03 110.923 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.489 ' HA ' HG22 ' A' ' 48' ' ' ILE . 3.1 pp20? -69.79 -31.46 69.39 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.504 -0.771 . . . . 73.22 112.992 -171.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -31.71 70.44 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 111.874 0.324 . . . . 74.42 111.874 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 90' ' ' GLN . 83.4 m -67.11 -49.54 64.59 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.169 0.588 . . . . 75.24 111.583 174.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.504 HD11 ' HG3' ' A' ' 62' ' ' ARG . 9.3 tt -71.99 -23.61 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 122.834 0.454 . . . . 74.51 111.383 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.681 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 74.5 t80 -58.91 -38.46 78.97 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.651 0.78 . . . . 74.45 111.501 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -74.13 -27.39 60.83 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.865 -0.607 . . . . 71.02 112.384 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -88.98 -56.5 3.26 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 122.753 0.421 . . . . 72.41 112.117 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -115.17 -22.28 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 C-N-CA 123.512 0.725 . . . . 74.34 112.218 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.681 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -79.06 28.01 2.27 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 117.097 1.599 . . . . 22.24 117.097 -165.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -79.31 49.68 1.0 Allowed 'General case' 0 CA--C 1.568 1.65 0 CA-C-N 117.605 0.702 . . . . 72.22 111.253 169.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p 41.26 70.92 0.23 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.784 1.633 . . . . 73.12 112.395 -173.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -117.04 163.06 16.81 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.019 0.527 . . . . 72.21 112.26 -164.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 70.2 mtp -60.39 -63.99 1.11 Allowed 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 125.16 1.384 . . . . 72.34 112.088 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -25.86 68.55 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 112.464 0.542 . . . . 74.44 112.464 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -52.96 -39.42 62.93 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.862 0.865 . . . . 71.53 112.822 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -60.89 -48.76 80.35 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.909 0.484 . . . . 71.23 111.869 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.42 -35.15 79.6 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.509 0.723 . . . . 71.22 111.508 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.504 ' HG3' HD11 ' A' ' 48' ' ' ILE . 6.4 tpm_? -69.91 -37.9 76.09 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.153 0.981 . . . . 74.11 111.486 -176.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.5 t -72.86 -45.08 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 123.434 0.693 . . . . 74.34 111.917 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.7 ptm180 -69.57 -28.09 65.68 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 112.162 0.43 . . . . 71.52 112.162 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -66.42 -29.29 69.41 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.001 0.52 . . . . 72.41 111.967 170.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -65.69 -53.64 38.32 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 110.044 -0.354 . . . . 74.23 110.044 168.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 64' ' ' ARG . 78.0 mt -53.18 -45.7 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 C-N-CA 124.759 1.224 . . . . 75.23 112.693 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.6 p -59.77 -50.97 71.74 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.084 0.954 . . . . 34.42 111.827 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.45 -27.17 62.15 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.683 0.793 . . . . 72.2 112.905 -177.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.96 -43.39 88.07 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.619 0.368 . . . . 72.52 111.149 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -91.95 2.38 56.58 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 112.602 0.593 . . . . 71.23 112.602 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -78.18 148.32 34.11 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.089 0.556 . . . . 72.11 111.669 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.09 -14.19 51.07 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 113.586 0.958 . . . . 31.32 113.586 -173.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.17 -27.27 63.42 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 117.937 0.335 . . . . 74.34 111.729 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -144.67 87.88 7.31 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 122.817 0.447 . . . . 72.11 109.823 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.38 -34.37 35.0 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.974 2.449 . . . . 41.22 111.654 171.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.584 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 5.7 m-20 -68.82 -15.53 63.53 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.146 -0.934 . . . . 74.03 113.091 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.88 -52.17 66.19 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.719 0.407 . . . . 64.3 111.472 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -69.53 -45.52 68.63 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.691 0.396 . . . . 74.2 110.854 172.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.584 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 38.8 ttp180 -63.97 -30.45 71.53 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.295 1.038 . . . . 71.11 113.237 -170.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.62 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 94.8 m-20 -74.93 -33.85 62.02 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.227 0.611 . . . . 64.24 111.2 176.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.5 -37.35 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 121.425 0.631 . . . . 71.21 110.466 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 30' ' ' HIS . 67.8 mt -70.72 -37.34 73.51 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-N 115.114 -0.948 . . . . 71.32 111.689 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 26.5 p -85.98 -7.53 58.59 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 112.129 0.418 . . . . 72.31 112.129 177.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.33 11.98 82.68 Favored Glycine 0 C--N 1.35 1.36 0 N-CA-C 114.613 0.605 . . . . 64.55 114.613 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.74 -55.0 17.03 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.196 0.598 . . . . 72.25 109.995 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 74.3 mt -89.87 129.99 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 108.165 -1.05 . . . . 62.33 108.165 163.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.1 p -78.1 145.61 69.64 Favored Pre-proline 0 N--CA 1.482 1.136 0 O-C-N 122.178 -0.326 . . . . 71.41 110.211 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -51.48 -26.13 20.94 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 123.19 2.594 . . . . 63.54 114.89 176.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.439 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 1.6 tm0? -73.15 -44.77 59.56 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.095 0.558 . . . . 63.22 111.032 175.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -57.92 -56.65 19.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.409 0.683 . . . . 72.11 111.815 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.7 tp -57.43 -30.09 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 112.634 0.605 . . . . 71.14 112.634 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.95 80.46 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.466 0.706 . . . . 63.23 112.139 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.2 m -98.54 -11.64 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.479 0 N-CA-C 113.043 0.756 . . . . 34.4 113.043 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.6 mtp -69.91 127.02 31.43 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.808 0.843 . . . . 61.41 111.218 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.3 t -75.19 177.31 6.57 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.849 0.46 . . . . 63.13 111.983 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.8 p -59.06 -36.48 75.13 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.953 0.901 . . . . 71.13 111.748 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.21 -47.9 84.0 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 122.947 0.499 . . . . 72.11 110.697 173.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -64.52 -30.97 72.0 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.782 0.833 . . . . 65.53 113.076 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 70.2 mtm -73.55 -5.18 38.61 Favored 'General case' 0 CA--C 1.56 1.327 0 N-CA-C 112.208 0.447 . . . . 72.1 112.208 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -123.1 -2.72 8.61 Favored 'General case' 0 CA--C 1.563 1.474 0 C-N-CA 124.387 1.075 . . . . 61.41 111.704 170.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 65.3 m -122.66 16.65 10.32 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 124.211 1.004 . . . . 73.44 111.492 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -65.56 -19.06 65.77 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.709 0.804 . . . . 72.02 111.038 169.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -59.22 -42.26 90.6 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 124.22 1.008 . . . . 64.13 111.807 167.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.96 -15.65 56.67 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 113.967 1.099 . . . . 72.04 113.967 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -65.19 -31.39 72.55 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-O 121.38 0.61 . . . . 64.11 110.681 177.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -92.52 -44.58 8.56 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.031 0.932 . . . . 73.02 110.921 168.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.8 mm -89.63 86.16 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.306 0 CA-C-O 121.846 0.831 . . . . 73.22 111.577 -172.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -114.39 134.41 55.0 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.134 -1.062 . . . . 74.0 108.134 169.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.1 tptt 65.88 58.05 0.78 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.65 1.18 . . . . 73.15 109.703 -175.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.28 103.0 1.84 Allowed 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.076 -0.966 . . . . 62.41 111.697 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 62.9 mtm -124.7 138.06 54.31 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.171 0.988 . . . . 72.53 109.614 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 CA--C 1.566 1.581 0 C-N-CA 122.877 0.471 . . . . 54.34 111.31 178.173 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.7 p . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.598 0.237 . . . . 64.44 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -71.34 100.74 2.22 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.359 0.663 . . . . 74.43 110.744 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -70.75 140.26 86.47 Favored Pre-proline 0 CA--C 1.561 1.38 0 C-N-CA 123.246 0.618 . . . . 72.42 110.942 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.12 91.78 0.21 Allowed 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.667 2.244 . . . . 54.22 112.26 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.9 130.28 67.5 Favored Pre-proline 0 CA--C 1.563 1.476 0 C-N-CA 123.481 0.713 . . . . 54.13 110.922 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -66.37 147.56 83.07 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 122.623 2.215 . . . . 55.44 111.794 173.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 m -137.53 94.28 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 C-N-CA 123.906 0.883 . . . . 73.31 111.082 -168.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.7 m -144.09 100.17 3.51 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.178 0.591 . . . . 74.13 110.801 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.8 -42.1 13.56 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.929 0.871 . . . . 74.02 109.343 168.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -167.76 174.56 7.52 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 113.447 -1.706 . . . . 74.5 108.626 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.24 -29.81 58.78 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 123.524 0.729 . . . . 31.01 112.166 171.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.86 -52.08 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.247 0.619 . . . . 75.23 111.653 173.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -63.08 -46.91 85.17 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.437 0.295 . . . . 64.43 111.681 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 47.5 t-20 -57.59 -47.99 80.63 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.511 0.724 . . . . 64.22 110.578 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.21 -40.02 92.4 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.178 0.991 . . . . 73.22 112.013 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.1 m -71.6 -31.66 67.17 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.026 0.53 . . . . 64.22 112.209 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -67.82 -37.31 81.8 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.463 0.305 . . . . 74.04 110.427 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 20.2 mm-40 -62.62 -33.54 75.22 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.152 -0.476 . . . . 72.13 111.344 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.405 ' HB2' ' HE3' ' A' ' 19' ' ' MET . 50.7 mtm -75.04 -34.94 61.92 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 123.101 0.56 . . . . 61.01 111.998 174.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.14 -41.08 95.13 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.657 0.783 . . . . 45.44 111.179 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -66.23 -42.01 89.24 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.752 0.821 . . . . 24.02 109.801 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -29.11 69.24 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.333 1.053 . . . . 65.1 112.6 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -69.1 -30.5 68.81 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.25 0.62 . . . . 64.12 111.89 173.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HB3' HD21 ' A' ' 83' ' ' LEU . 66.0 mt -86.7 -26.58 24.19 Favored 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 123.938 0.895 . . . . 64.21 112.381 178.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -111.19 29.48 7.76 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 124.667 1.187 . . . . 74.44 109.738 175.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 t -57.68 -33.66 68.59 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.923 0.889 . . . . 74.14 112.174 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -127.98 -88.99 0.54 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 107.802 -1.184 . . . . 62.14 107.802 158.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -147.68 35.58 0.86 Allowed 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.344 1.058 . . . . 73.44 109.869 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.74 -38.76 76.94 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.015 -0.993 . . . . 74.41 112.572 -170.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -70.41 -24.82 62.99 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 111.863 0.32 . . . . 71.12 111.863 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.0 t -73.81 -33.14 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 124.147 0.979 . . . . 64.12 110.604 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.05 -31.53 61.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.137 0.975 . . . . 62.54 112.849 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.515 HG21 ' HA ' ' A' ' 84' ' ' CYS . 4.5 mp -100.74 -40.5 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 123.28 0.632 . . . . 75.51 110.208 175.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.73 18.89 11.74 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-N 115.802 -0.635 . . . . 55.41 113.826 -177.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -91.31 134.97 34.14 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.378 0.671 . . . . 45.11 111.309 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.574 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 11.4 m-20 -76.56 106.98 8.52 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.179 0.592 . . . . 62.14 111.357 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 p -64.41 -23.63 67.35 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.338 1.236 . . . . 74.02 114.338 -171.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.89 -40.24 63.34 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 113.212 0.819 . . . . 61.35 113.212 -177.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.574 ' HE ' ' HB2' ' A' ' 36' ' ' ASP . 30.2 ptt180 -74.83 -28.99 60.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.932 -0.48 . . . . 75.12 110.855 175.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.441 HD11 ' HB1' ' A' ' 35' ' ' ALA . 86.2 mt -67.26 -53.39 30.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.828 0.451 . . . . 74.31 110.932 175.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.8 p -54.39 -38.19 65.89 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.123 0.969 . . . . 72.33 112.346 -176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.04 93.03 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 123.971 0.908 . . . . 61.22 112.009 175.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -70.4 -42.72 71.28 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.778 0.831 . . . . 71.31 111.989 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -59.61 -45.17 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.239 0.615 . . . . 73.41 110.154 172.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.59 -42.76 98.24 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.394 0.678 . . . . 74.32 112.08 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.59 -43.8 72.45 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.516 0.726 . . . . 65.22 112.233 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.8 m -73.84 -35.93 64.84 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.642 -0.708 . . . . 63.32 112.581 -175.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.4 tt -80.42 -26.67 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 O-C-N 122.142 -0.349 . . . . 71.33 111.083 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.89 -25.23 64.92 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 124.883 1.273 . . . . 74.43 113.025 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -51.09 -55.33 18.21 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.517 1.127 . . . . 72.02 112.316 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.94 -52.43 4.86 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.609 0.719 . . . . 72.05 111.608 172.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.442 HG12 ' HD1' ' A' ' 59' ' ' TYR . 71.2 t -70.39 -32.71 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 114.799 -1.091 . . . . 74.31 113.802 -166.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.83 30.43 1.07 Allowed Glycine 0 N--CA 1.483 1.79 0 N-CA-C 117.089 1.596 . . . . 43.23 117.089 -169.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -84.56 5.62 27.0 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.274 1.03 . . . . 74.34 112.961 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 49.4 p 67.09 -57.33 0.42 Allowed 'General case' 0 N--CA 1.507 2.401 0 C-N-CA 126.8 2.04 . . . . 74.42 113.857 -177.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.61 129.83 43.88 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 124.304 1.041 . . . . 75.31 112.912 177.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.3 tmm? 58.11 -79.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 125.903 1.681 . . . . 72.53 114.08 172.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -59.98 -38.93 84.0 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.91 0.884 . . . . 73.11 113.097 -171.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.442 ' HD1' HG12 ' A' ' 52' ' ' VAL . 34.3 t80 -70.74 -31.59 68.46 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.671 0.388 . . . . 73.22 111.672 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 9.4 mmpt? -72.69 -52.46 15.12 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 122.282 -0.261 . . . . 74.13 111.54 172.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -77.41 -51.27 11.07 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.911 0.884 . . . . 74.25 112.854 -169.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -76.8 -27.57 55.28 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 112.568 0.581 . . . . 71.05 112.568 -173.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.2 t -72.14 -48.03 51.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 118.829 -0.605 . . . . 63.25 110.93 174.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -62.45 -35.1 78.21 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-N 118.454 0.57 . . . . 71.21 111.013 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -63.78 -44.4 93.48 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.452 0.701 . . . . 70.3 111.428 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.556 ' HG3' ' SD ' ' A' ' 100' ' ' MET . 17.8 ttm-85 -67.45 -44.24 79.13 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.759 0.423 . . . . 74.12 110.958 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' ' 23' ' ' ALA . 98.3 mt -55.48 -37.42 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 124.423 1.089 . . . . 63.03 111.488 171.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.7 t -64.24 -45.32 88.69 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.214 0.605 . . . . 75.05 111.434 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -66.83 -28.83 68.67 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 122.899 0.48 . . . . 63.22 112.058 175.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.494 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 94.0 mt -72.36 -48.85 38.47 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 122.738 0.415 . . . . 72.4 111.361 176.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.6 ptpt -82.34 4.13 25.1 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 122.796 0.438 . . . . 74.04 112.085 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -70.34 128.58 36.69 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.574 0.75 . . . . 73.52 111.559 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.44 -24.19 60.21 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.37 0.668 . . . . 53.32 112.047 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -74.77 -33.84 62.35 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 122.515 0.326 . . . . 72.13 110.915 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -113.87 81.15 5.69 Favored Pre-proline 0 N--CA 1.49 1.559 0 C-N-CA 123.377 0.671 . . . . 75.43 111.196 172.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.36 -25.74 4.53 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.082 1.855 . . . . 74.22 111.977 167.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.79 -37.68 79.45 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.258 1.023 . . . . 54.3 111.738 -174.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 58.6 tp -53.81 -56.58 16.28 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.432 0.693 . . . . 74.41 111.985 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' HD3' ' O ' ' A' ' 70' ' ' LEU . 27.9 ptt-85 -71.79 -32.64 67.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.702 0.401 . . . . 72.3 111.33 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.468 ' HD2' HD11 ' A' ' 33' ' ' ILE . 8.6 tpt180 -58.23 -44.73 88.37 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.553 0.741 . . . . 71.42 111.127 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -65.82 -38.43 88.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.625 0.77 . . . . 72.2 111.922 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.1 t -64.27 -46.62 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-O 121.581 0.705 . . . . 73.21 110.936 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 24' ' ' LEU . 69.0 mt -72.06 -24.64 61.55 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.45 1.1 . . . . 74.13 112.098 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.515 ' HA ' HG21 ' A' ' 33' ' ' ILE . 42.9 t -87.33 -13.91 42.26 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.921 0.888 . . . . 61.42 111.55 176.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.32 -4.14 82.45 Favored Glycine 0 CA--C 1.536 1.382 0 CA-C-O 119.608 -0.551 . . . . 74.21 114.29 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.24 81.45 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.58 0.752 . . . . 72.03 111.373 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 73.9 mt -89.16 130.95 37.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 108.934 -0.765 . . . . 33.24 108.934 165.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.4 p -80.46 154.67 74.1 Favored Pre-proline 0 N--CA 1.487 1.376 0 C-N-CA 123.049 0.54 . . . . 71.11 111.238 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -47.46 -39.85 28.94 Favored 'Trans proline' 0 C--N 1.384 2.427 0 C-N-CA 123.671 2.914 . . . . 41.12 115.339 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -77.07 -39.46 49.67 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.35 0.5 . . . . 65.52 112.35 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' A' ' 95' ' ' MET . 61.3 tt0 -57.21 -51.42 69.42 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.645 0.778 . . . . 71.52 112.062 -174.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.4 tp -61.8 -37.95 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 123.348 0.659 . . . . 70.03 112.438 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.42 -39.72 62.43 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.502 0.721 . . . . 71.3 112.942 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.3 m -85.02 -8.3 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 123.67 0.788 . . . . 74.13 112.032 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 91' ' ' GLN . 39.9 ttp -72.85 150.18 42.89 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.58 0.752 . . . . 71.1 112.725 -169.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.9 m -62.22 147.96 46.23 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.305 1.042 . . . . 62.12 111.782 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.1 t -59.46 -41.44 89.72 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.914 0.886 . . . . 42.24 111.887 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -55.76 -42.11 74.97 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.725 0.81 . . . . 45.41 111.717 174.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.418 ' HB2' ' HG2' ' A' ' 95' ' ' MET . 43.2 mt-10 -71.86 -25.35 61.92 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.075 -0.511 . . . . 74.24 112.375 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.556 ' SD ' ' HG3' ' A' ' 66' ' ' ARG . 52.1 mtm -69.29 -25.56 64.31 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.106 0.479 . . . . 65.41 110.919 173.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.71 -15.47 30.22 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.546 0.739 . . . . 52.41 112.68 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 99.2 p -150.38 34.82 0.64 Allowed 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 113.622 0.971 . . . . 62.53 113.622 -171.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.475 ' HA ' ' HE2' ' A' ' 106' ' ' LYS . 22.3 t70 -59.98 -33.7 72.3 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 121.544 0.687 . . . . 73.24 111.446 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -63.61 -41.71 98.27 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.307 -1.315 . . . . 75.43 110.791 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.8 mt -63.56 -20.11 65.37 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 113.861 1.06 . . . . 74.04 113.861 -173.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' A' ' 103' ' ' ASP . 56.7 mtmt -66.55 -13.43 60.99 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 113.056 0.761 . . . . 72.43 113.056 176.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.3 -14.85 3.75 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.726 0.811 . . . . 73.15 112.074 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.9 mm -97.3 -57.0 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 C-N-CA 123.247 0.619 . . . . 73.45 111.493 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 60.38 -80.34 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 124.935 1.294 . . . . 70.43 112.215 -173.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -146.83 93.91 2.35 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 108.004 -1.11 . . . . 75.24 108.004 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.54 -177.71 5.12 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.59 0.756 . . . . 71.22 112.384 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -162.32 152.23 16.37 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.243 1.017 . . . . 73.13 110.482 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 39.7 p . . . . . 0 N--CA 1.495 1.8 0 C-N-CA 123.276 0.63 . . . . 65.34 110.704 173.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.475 0.178 . . . . 74.21 111.059 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -74.43 96.1 2.83 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.151 0.581 . . . . 72.24 110.167 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.4 mtt -125.81 136.27 28.18 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 123.621 0.768 . . . . 72.11 110.467 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -46.21 112.47 0.46 Allowed 'Trans proline' 0 C--N 1.384 2.436 0 C-N-CA 123.679 2.919 . . . . 72.42 114.304 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.5 t -65.79 124.22 86.92 Favored Pre-proline 0 CA--C 1.559 1.321 0 C-N-CA 123.769 0.828 . . . . 45.12 111.113 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -65.19 -169.85 0.14 Allowed 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 123.139 2.559 . . . . 52.33 114.305 173.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.87 158.27 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.644 0.778 . . . . 61.23 111.444 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -86.34 165.49 16.36 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.247 0.619 . . . . 72.15 111.312 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 13' ' ' ARG . 92.9 m -145.56 153.51 41.16 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 112.709 0.633 . . . . 60.04 112.709 -172.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 58.0 -169.83 0.11 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.718 1.207 . . . . 54.14 113.407 172.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.71 -13.07 34.83 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.249 0.62 . . . . 52.13 110.892 168.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.0 t -70.49 -63.67 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.14 0.576 . . . . 71.52 110.693 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 9' ' ' CYS . 29.4 ttt180 -74.68 -44.42 50.26 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 115.764 -0.653 . . . . 64.12 112.589 -175.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -62.73 -39.86 95.39 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 112.084 0.402 . . . . 71.21 112.084 -173.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.83 -33.96 76.76 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.022 -0.535 . . . . 74.34 111.126 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 71.5 m -61.67 -41.96 98.27 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.832 0.453 . . . . 74.34 111.574 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -58.65 -49.0 79.13 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.32 0.648 . . . . 73.44 110.624 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.68 -25.92 67.55 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.195 0.813 . . . . 72.11 113.195 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.1 mtm -75.54 -34.46 60.75 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 123.236 0.615 . . . . 74.24 112.128 171.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 91.7 mt -69.35 -34.44 74.61 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.061 0.458 . . . . 71.4 110.422 173.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -66.45 -43.71 84.81 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.857 0.863 . . . . 52.43 109.649 171.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.38 70.31 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.377 1.071 . . . . 75.03 112.323 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -60.62 -42.61 97.2 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.625 0.726 . . . . 71.31 111.563 171.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 76.0 mt -82.28 -19.26 39.85 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 114.969 -1.014 . . . . 70.22 112.856 -175.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -122.48 20.61 10.35 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 123.519 0.728 . . . . 65.32 111.57 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.431 HG21 ' HB2' ' A' ' 71' ' ' LYS . 13.7 t -59.46 -30.62 68.64 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 123.571 0.748 . . . . 73.45 112.161 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -111.07 -89.17 0.5 Allowed 'General case' 0 CA--C 1.557 1.245 0 N-CA-C 107.708 -1.219 . . . . 54.12 107.708 166.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -165.93 40.55 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.222 1.809 . . . . 75.14 107.632 168.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.93 -56.0 26.27 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.692 0.797 . . . . 74.31 112.516 -166.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.659 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 20.2 m-70 -76.82 -24.21 52.77 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 112.62 0.6 . . . . 75.24 112.62 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.68 -32.9 57.15 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 0 C-N-CA 124.385 1.074 . . . . 75.51 111.632 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.67 -48.08 66.75 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.55 1.14 . . . . 71.53 113.048 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.641 HD12 HD22 ' A' ' 83' ' ' LEU . 58.9 mt -91.77 -13.84 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.508 0.723 . . . . 71.14 111.139 178.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.58 22.25 34.68 Favored Glycine 0 N--CA 1.48 1.583 0 O-C-N 122.042 -0.411 . . . . 74.43 113.674 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.52 113.33 21.15 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.51 0.724 . . . . 62.14 110.342 175.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.38 107.58 0.51 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.196 0.599 . . . . 73.4 111.688 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 30' ' ' HIS . 57.0 m -56.69 -34.56 67.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.943 0.897 . . . . 63.12 112.107 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.7 -45.04 88.28 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.627 1.171 . . . . 73.12 113.666 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -69.13 -30.77 69.09 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 120.963 0.411 . . . . 73.54 111.194 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.19 -55.79 12.64 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.595 0.758 . . . . 72.34 109.439 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -59.04 -30.15 67.81 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.415 1.486 . . . . 42.31 113.447 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.37 93.62 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.259 0.624 . . . . 74.45 111.188 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.455 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 97.3 mt-30 -76.74 -34.74 58.06 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.826 -0.625 . . . . 63.53 112.016 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.0 -45.01 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 122.863 0.465 . . . . 63.31 109.887 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 49' ' ' PHE . 36.1 tt0 -58.89 -54.0 52.09 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.823 0.849 . . . . 74.34 111.492 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 71.4 mm-40 -55.49 -47.34 76.32 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 112.765 0.654 . . . . 73.43 112.765 -177.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.527 ' SG ' ' HG2' ' A' ' 90' ' ' GLN . 64.0 m -67.69 -40.16 84.37 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.457 0.703 . . . . 72.54 112.587 -175.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' A' ' 62' ' ' ARG . 14.4 tt -76.34 -25.38 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 120.683 0.277 . . . . 73.35 110.789 174.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.626 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 24.1 t80 -71.89 -35.89 69.88 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.499 0.72 . . . . 60.21 111.452 -177.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 15.9 mmp_? -58.18 -51.77 68.33 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.263 0.625 . . . . 74.52 111.691 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -85.63 -55.78 3.82 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.471 0.709 . . . . 73.0 112.103 -174.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 59' ' ' TYR . 21.4 t -96.12 -38.29 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 123.275 0.63 . . . . 75.35 111.982 -172.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.626 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -79.57 32.78 2.1 Favored Glycine 0 C--N 1.342 0.915 0 N-CA-C 116.381 1.312 . . . . 60.43 116.381 -168.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -76.84 38.9 0.21 Allowed 'General case' 0 CA--C 1.573 1.841 0 CA-C-N 117.681 0.741 . . . . 73.02 111.898 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.3 p 38.16 72.01 0.14 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 125.755 1.622 . . . . 63.14 112.648 -172.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -139.91 171.92 13.51 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.348 -0.842 . . . . 74.24 110.481 -172.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -55.31 -44.12 75.49 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 113.399 0.889 . . . . 74.22 113.399 -175.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -29.63 67.17 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 112.801 0.667 . . . . 54.14 112.801 -177.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.541 ' HA ' HG12 ' A' ' 52' ' ' VAL . 8.3 t80 -54.03 -36.78 63.39 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 124.424 1.09 . . . . 75.11 113.78 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -64.49 -54.66 28.9 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 111.875 0.324 . . . . 73.04 111.875 -178.248 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -70.96 -29.02 64.91 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.892 0.477 . . . . 75.11 112.026 -175.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HB3' HD11 ' A' ' 48' ' ' ILE . 10.3 mpt_? -69.01 -40.29 78.77 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.552 0.341 . . . . 74.02 111.251 176.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 67' ' ' ILE . 54.1 t -64.14 -47.75 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 O-C-N 123.183 0.302 . . . . 75.34 110.379 171.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.596 ' HA ' HD12 ' A' ' 67' ' ' ILE . 68.9 mtp180 -65.65 -30.68 71.41 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.267 0.627 . . . . 61.53 112.634 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.1 t -74.79 -39.94 61.43 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.058 0.543 . . . . 53.01 110.225 174.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' NH1' ' SD ' ' A' ' 100' ' ' MET . 5.3 tpm_? -57.76 -42.33 83.8 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.515 0.726 . . . . 64.11 110.565 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 64' ' ' ARG . 62.6 mt -61.62 -54.69 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.975 0.91 . . . . 75.22 110.528 173.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 t -52.62 -43.19 65.23 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 125.101 1.36 . . . . 72.31 113.046 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -75.06 -27.63 60.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.677 0.791 . . . . 74.44 112.283 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.554 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 79.2 mt -83.59 -10.95 57.91 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.019 0.528 . . . . 73.24 111.996 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' HB2' HG21 ' A' ' 26' ' ' THR . 14.3 ptmm? -121.95 7.57 9.84 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.426 0.691 . . . . 72.34 111.896 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.38 134.72 49.37 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 112.64 0.607 . . . . 73.11 112.64 -170.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.02 -39.1 56.42 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.879 0.872 . . . . 65.32 111.616 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -71.71 -30.98 66.25 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.04 0.536 . . . . 75.51 111.276 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.403 ' OD1' ' HA ' ' A' ' 101' ' ' ALA . 12.1 t30 -124.33 78.61 60.99 Favored Pre-proline 0 CA--C 1.561 1.388 0 C-N-CA 123.746 0.818 . . . . 73.43 110.073 174.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -88.04 -3.98 7.01 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 123.257 2.638 . . . . 73.12 112.697 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.5 -43.42 98.87 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.685 0.794 . . . . 64.2 110.303 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 100' ' ' MET . 47.4 tp -57.72 -41.88 82.69 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.759 0.824 . . . . 70.34 112.382 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 17.1 mtp180 -52.85 -49.58 65.49 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.743 0.817 . . . . 73.2 110.946 175.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -66.26 -39.76 89.67 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 125.137 1.375 . . . . 73.15 112.815 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.587 ' HB3' HD13 ' A' ' 87' ' ' ILE . 6.5 m-20 -69.81 -36.86 76.01 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.814 0.846 . . . . 74.42 112.095 -176.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.6 t -83.22 -24.05 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 C-N-CA 123.228 0.611 . . . . 72.53 110.628 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -59.03 -55.37 36.03 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.425 1.09 . . . . 64.3 111.222 177.373 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 28.8 p -80.88 -6.36 58.53 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.396 -0.82 . . . . 75.24 112.036 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.33 29.21 50.66 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 114.245 0.458 . . . . 70.12 114.245 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.89 -40.9 78.93 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.005 0.522 . . . . 65.02 110.951 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.587 HD13 ' HB3' ' A' ' 81' ' ' ASN . 2.3 mp -100.75 133.14 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.852 0.861 . . . . 73.11 108.95 171.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.4 p -78.41 148.4 73.8 Favored Pre-proline 0 N--CA 1.487 1.412 0 C-N-CA 122.581 0.352 . . . . 72.25 111.044 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 43' ' ' GLN . 71.5 Cg_exo -55.05 -20.73 24.55 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 123.411 2.74 . . . . 71.25 115.123 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.527 ' HG2' ' SG ' ' A' ' 47' ' ' CYS . 22.6 tm0? -74.09 -47.92 33.23 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.48 0.312 . . . . 70.12 110.288 174.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -62.25 -49.18 76.72 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 115.989 -0.551 . . . . 71.31 111.644 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.455 HD13 HD11 ' A' ' 78' ' ' LEU . 8.7 tp -57.84 -29.3 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.501 0 N-CA-C 112.764 0.654 . . . . 72.32 112.764 -175.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.72 -32.89 73.01 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.361 0.664 . . . . 72.42 112.258 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.6 m -106.47 -7.16 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 113.398 0.888 . . . . 63.24 113.398 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 88.5 mtp -73.93 132.2 42.21 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 112.409 0.522 . . . . 71.43 112.409 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.5 ' HB ' ' HG2' ' A' ' 99' ' ' GLU . 16.6 m -70.39 161.8 29.81 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.861 1.264 . . . . 70.44 110.996 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.6 p -50.04 -45.23 52.01 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.401 1.081 . . . . 72.1 113.278 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.48 -32.55 71.51 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.379 0.671 . . . . 65.22 112.64 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.5 ' HG2' ' HB ' ' A' ' 96' ' ' THR . 9.6 mm-40 -68.37 -38.71 81.65 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.77 0.795 . . . . 74.22 110.387 177.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.513 ' HB3' HD22 ' A' ' 78' ' ' LEU . 74.4 mtm -76.65 -14.87 59.94 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.716 -1.129 . . . . 53.03 112.769 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.403 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . . . -73.58 -31.74 63.76 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.145 0.578 . . . . 65.22 111.753 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 76.5 p 53.88 19.94 2.15 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 125.874 1.67 . . . . 63.44 114.583 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.21 -28.83 63.21 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.035 0.934 . . . . 63.21 112.76 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -54.88 -40.01 69.29 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.396 1.078 . . . . 72.33 111.839 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.9 mt -78.26 -19.67 53.22 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.952 1.093 . . . . 65.3 113.952 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -65.34 -22.6 66.84 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 114.324 1.231 . . . . 54.14 114.324 -170.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -107.23 -1.83 21.41 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 118.418 0.554 . . . . 65.52 112.474 176.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.2 mm -79.55 -14.6 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 C-N-CA 123.005 0.522 . . . . 61.33 111.153 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 72.79 -66.76 0.29 Allowed 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 125.402 1.481 . . . . 73.2 113.037 173.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -140.16 105.3 5.01 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.592 0.757 . . . . 55.14 109.73 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -125.61 140.05 53.06 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.866 0.866 . . . . 71.31 111.175 -172.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 21.0 ptp -162.4 -27.7 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.378 0.671 . . . . 73.43 112.229 -177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.4 p . . . . . 0 CA--C 1.562 1.439 0 C-N-CA 123.12 0.568 . . . . 74.4 111.658 -178.216 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.1 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.65 0.262 . . . . 54.33 110.93 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -140.35 99.07 3.56 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.711 0.805 . . . . 71.1 110.151 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.1 ptm -159.88 149.87 14.92 Favored Pre-proline 0 N--CA 1.488 1.435 0 C-N-CA 123.829 0.852 . . . . 74.3 110.603 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.5 176.26 10.11 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.578 2.185 . . . . 72.34 112.566 172.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.426 HG11 ' HB1' ' A' ' 42' ' ' ALA . 32.1 m -67.63 147.09 98.72 Favored Pre-proline 0 CA--C 1.567 1.613 0 C-N-CA 123.026 0.53 . . . . 73.04 111.051 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 46' ' ' GLU . 79.3 Cg_endo -73.01 155.88 52.46 Favored 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.506 2.137 . . . . 70.54 113.157 -175.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.0 m -62.77 148.22 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 123.595 0.758 . . . . 73.33 111.642 175.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.616 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . 48.9 p -63.43 -38.69 92.12 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.57 0.748 . . . . 60.51 112.716 -172.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.677 ' HB3' HH11 ' A' ' 13' ' ' ARG . 42.8 t 56.08 102.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.891 1.276 . . . . 73.23 111.99 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 65.98 -78.02 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.816 1.246 . . . . 73.53 109.521 -166.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.16 10.39 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.029 1.332 . . . . 73.34 110.321 172.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -75.34 -41.56 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 113.458 0.91 . . . . 71.24 113.458 -162.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.677 HH11 ' HB3' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -57.79 -51.27 70.27 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.849 -0.426 . . . . 71.54 109.849 172.093 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -59.55 -32.96 70.82 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.305 1.042 . . . . 72.32 112.019 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -73.52 -33.06 64.58 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.336 0.655 . . . . 53.41 111.155 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.1 m -71.82 -39.46 69.77 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.349 -0.387 . . . . 73.53 110.614 173.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -62.13 -46.92 86.86 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.98 0.512 . . . . 74.45 111.54 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.81 -35.45 74.71 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 112.145 0.424 . . . . 60.42 112.145 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.8 mtm -74.64 -44.04 52.42 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.145 0.578 . . . . 55.41 112.302 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.54 -48.69 79.87 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.495 0.718 . . . . 52.52 110.976 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.454 HG23 ' SG ' ' A' ' 37' ' ' CYS . 85.7 m -61.11 -36.87 80.86 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.821 1.248 . . . . 73.41 111.817 176.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -30.96 70.92 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.053 0.541 . . . . 71.45 112.16 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.626 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -68.91 -37.06 78.71 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.693 0.397 . . . . 72.31 110.843 170.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.6 HD23 ' HG2' ' A' ' 79' ' ' ARG . 73.3 mt -73.85 -7.68 53.17 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 123.677 0.791 . . . . 53.41 112.022 173.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.482 ' HG2' ' CD2' ' A' ' 30' ' ' HIS . 51.6 mt-30 -120.58 23.5 10.77 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.838 1.255 . . . . 73.11 111.149 173.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.4 HG22 ' HE ' ' A' ' 79' ' ' ARG . 12.1 t -58.84 -30.11 67.43 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.573 0.583 . . . . 74.24 112.573 -176.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -133.59 34.95 3.42 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.011 0.924 . . . . 62.43 109.27 170.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.6 m170 58.32 33.36 23.06 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.908 1.283 . . . . 74.24 111.7 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.92 -45.46 90.3 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.764 1.225 . . . . 74.2 113.208 -163.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.482 ' CD2' ' HG2' ' A' ' 25' ' ' GLN . 2.8 p80 -58.96 -23.49 61.63 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 123.946 0.898 . . . . 71.25 113.203 -176.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.28 -54.43 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.317 0.647 . . . . 74.41 110.594 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.64 69.48 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.554 0.742 . . . . 70.2 112.097 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.0 mt -79.44 -32.05 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 C-N-CA 123.432 0.693 . . . . 74.51 111.493 175.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.5 50.68 5.58 Favored Glycine 0 CA--C 1.535 1.343 0 N-CA-C 113.834 0.294 . . . . 52.23 113.834 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 30' ' ' HIS . . . -135.87 137.1 41.13 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.658 0.783 . . . . 72.02 110.316 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.95 97.83 2.9 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.232 0.539 . . . . 61.33 110.853 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' A' ' 21' ' ' THR . 13.0 p -63.69 -33.42 75.61 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.181 0.992 . . . . 64.14 112.181 -178.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.36 -35.29 80.52 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.68 0.792 . . . . 70.23 112.002 174.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -70.55 -43.61 69.16 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.746 0.818 . . . . 62.41 109.68 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.492 HD12 HD23 ' A' ' 83' ' ' LEU . 74.3 mt -62.87 -45.06 94.32 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.865 -0.607 . . . . 71.42 110.728 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 29.9 t -64.59 -30.63 71.66 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.83 0.852 . . . . 60.13 112.027 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.426 ' HB1' HG11 ' A' ' 5' ' ' VAL . . . -64.52 -39.77 94.39 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.185 0.594 . . . . 53.34 111.805 174.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -73.46 -33.17 64.74 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 115.725 -0.671 . . . . 73.41 110.958 175.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 41' ' ' SER . 91.3 mt -62.48 -39.8 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.908 0.883 . . . . 64.24 111.294 174.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 41' ' ' SER . 46.7 mt-10 -52.67 -49.96 64.22 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.6 0.76 . . . . 75.4 112.407 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.62 ' HB3' ' HD3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -73.16 -33.31 65.4 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.71 0.404 . . . . 70.43 111.77 -179.446 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.0 m -70.45 -34.47 72.48 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.425 0.69 . . . . 74.12 112.689 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.441 ' O ' ' HB ' ' A' ' 52' ' ' VAL . 14.9 tt -83.37 -30.38 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 N-CA-C 109.626 -0.509 . . . . 71.33 109.626 175.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -57.94 -25.56 61.1 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.55 1.14 . . . . 74.52 113.002 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -55.41 -68.04 0.23 Allowed 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.046 0.938 . . . . 74.24 112.301 -177.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.87 -32.8 15.89 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.126 0.57 . . . . 71.14 112.135 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.636 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 94.2 t -94.83 -23.31 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 113.537 0.94 . . . . 72.11 113.537 -168.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.04 29.53 1.11 Allowed Glycine 0 CA--C 1.545 1.932 0 N-CA-C 116.467 1.347 . . . . 63.23 116.467 -171.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -74.76 -15.95 60.75 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.857 0.863 . . . . 73.02 112.407 175.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.3 p 55.43 34.14 22.36 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 125.601 1.561 . . . . 74.11 113.261 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -103.52 -53.56 2.76 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 123.757 0.823 . . . . 63.02 112.023 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 42.4 ttm -163.96 -41.14 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.302 1.041 . . . . 65.0 110.539 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.636 ' HD2' ' HA ' ' A' ' 52' ' ' VAL . 38.6 ttmt -53.69 -43.1 68.67 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.292 0.637 . . . . 74.32 110.874 176.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.464 ' HA ' HG12 ' A' ' 52' ' ' VAL . 51.3 t80 -62.39 -33.71 75.29 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.19 0.996 . . . . 65.45 112.946 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 34.7 mmtp -72.71 -55.21 7.13 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 122.4 0.28 . . . . 40.53 111.473 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -70.19 -43.28 71.07 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.648 0.779 . . . . 72.14 111.936 -171.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.407 ' HG2' HG21 ' A' ' 52' ' ' VAL . 11.5 tpt180 -57.97 -46.07 85.73 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.471 0.708 . . . . 73.15 112.25 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.09 -45.58 98.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 C-N-CA 123.085 0.554 . . . . 73.03 111.076 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 9.6 mmm180 -57.32 -48.8 78.02 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.386 0.674 . . . . 70.23 112.291 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 t -67.55 -40.22 84.99 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.402 0.681 . . . . 62.14 111.83 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -47.7 74.28 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.594 0.757 . . . . 74.5 111.571 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.626 HG23 ' HB2' ' A' ' 23' ' ' ALA . 94.3 mt -57.28 -41.92 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 123.753 0.821 . . . . 73.31 111.087 173.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 t -60.77 -41.13 94.92 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 115.58 -0.736 . . . . 74.22 111.888 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -71.34 -29.92 65.56 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.45 0.7 . . . . 70.25 112.418 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.26 -31.37 72.55 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.982 0.513 . . . . 72.3 112.054 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -107.75 0.06 22.05 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.763 0.825 . . . . 62.21 112.052 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.18 146.64 31.67 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.074 0.55 . . . . 72.22 111.974 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.51 -16.91 61.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.402 0.89 . . . . 73.13 113.402 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -75.76 -25.79 56.82 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 117.869 0.304 . . . . 70.2 111.397 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -152.83 68.88 6.94 Favored Pre-proline 0 CA--C 1.568 1.668 0 C-N-CA 123.355 0.662 . . . . 73.04 112.063 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.97 -20.96 11.26 Favored 'Trans proline' 0 C--N 1.383 2.352 0 C-N-CA 122.549 2.166 . . . . 75.45 112.608 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.29 -17.86 61.84 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.794 0.838 . . . . 70.24 111.702 175.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.0 tp -53.96 -53.77 48.24 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.954 0.902 . . . . 64.24 111.345 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.6 ' HG2' HD23 ' A' ' 24' ' ' LEU . 1.8 tmm_? -61.58 -42.56 99.03 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.531 1.132 . . . . 65.23 112.106 176.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -61.73 -45.95 91.72 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.563 0.745 . . . . 64.44 111.559 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -65.48 -32.52 74.17 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.179 0.992 . . . . 74.42 112.754 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.85 -44.87 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-O 121.137 0.494 . . . . 64.44 110.508 174.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.492 HD23 HD12 ' A' ' 40' ' ' LEU . 76.3 mt -70.29 -32.01 69.6 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 115.276 -0.875 . . . . 75.34 111.829 177.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.9 m -81.22 -9.06 59.85 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.648 0.779 . . . . 71.51 112.137 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.8 -1.65 88.48 Favored Glycine 0 CA--C 1.539 1.577 0 N-CA-C 114.256 0.462 . . . . 64.31 114.256 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.47 -30.71 70.49 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.777 0.831 . . . . 71.21 111.694 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 68.5 mt -117.34 127.19 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.169 0.987 . . . . 60.22 108.56 169.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.3 p -75.41 151.82 85.48 Favored Pre-proline 0 N--CA 1.492 1.668 0 CA-C-O 119.547 -0.263 . . . . 74.51 110.938 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -49.41 -31.08 22.29 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 123.342 2.695 . . . . 63.52 114.522 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -74.18 -46.61 41.09 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 119.483 -0.294 . . . . 71.31 111.413 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -54.55 -55.16 32.09 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.278 0.631 . . . . 73.51 111.649 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.2 tp -63.38 -29.83 48.24 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.576 0 N-CA-C 112.746 0.647 . . . . 73.43 112.746 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.95 34.53 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 112.503 0.557 . . . . 75.45 112.503 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.4 m -83.6 -25.41 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 C-N-CA 123.293 0.637 . . . . 65.44 112.189 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 48.4 ttp -67.12 126.11 28.14 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.402 0.681 . . . . 70.13 111.663 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -84.29 170.18 13.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.903 0.481 . . . . 75.33 110.916 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -62.02 -30.64 71.1 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.743 0.817 . . . . 75.14 112.908 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.42 -52.01 67.4 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.09 0.556 . . . . 75.23 111.624 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.57 -43.4 80.71 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.723 0.809 . . . . 74.11 110.783 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.8 ttm -66.15 -26.05 67.25 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 114.253 -1.34 . . . . 73.42 112.257 -176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.11 8.75 14.55 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.727 0.811 . . . . 64.54 112.468 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.7 t -57.53 113.69 1.91 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.5 0.72 . . . . 63.43 112.705 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.62 -23.22 67.29 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.13 0.972 . . . . 75.34 112.367 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.43 -49.26 77.92 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.548 0.739 . . . . 64.53 110.799 170.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 69.4 mt -76.39 -21.17 56.37 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.141 0.793 . . . . 72.53 113.141 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -61.46 -40.74 95.6 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.507 0.723 . . . . 72.15 111.903 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -92.19 -9.31 42.78 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.114 0.566 . . . . 71.23 112.408 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 51.0 mm -97.72 103.99 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.117 0.567 . . . . 44.11 110.242 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -72.27 -46.94 53.72 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.321 0.581 . . . . 72.44 110.593 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -158.98 -37.78 0.06 Allowed 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.14 -0.936 . . . . 75.01 110.478 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.62 95.69 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.337 1.055 . . . . 54.34 112.913 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 84.6 mtp -87.81 65.71 8.48 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.721 0.808 . . . . 74.13 110.221 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 CA--C 1.57 1.748 0 C-N-CA 123.783 0.833 . . . . 64.14 111.266 -175.914 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 110.578 -0.156 . . . . 73.53 110.578 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -126.09 -65.23 1.0 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.084 0.954 . . . . 73.2 109.855 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 66.44 149.97 0.12 Allowed Pre-proline 0 N--CA 1.495 1.814 0 C-N-CA 124.748 1.219 . . . . 75.02 112.421 -176.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -50.96 136.53 44.23 Favored 'Trans proline' 0 C--N 1.382 2.298 0 C-N-CA 122.82 2.347 . . . . 70.5 113.705 177.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.533 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 8.4 p -52.96 133.73 48.84 Favored Pre-proline 0 CA--C 1.567 1.625 0 C-N-CA 124.057 0.943 . . . . 75.23 112.323 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.74 151.37 56.22 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 122.748 2.299 . . . . 71.42 113.25 176.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.6 m -94.48 150.07 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.784 0.834 . . . . 72.12 111.354 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.739 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . 5.5 t -75.6 -39.74 57.53 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.732 -0.667 . . . . 72.14 112.635 -177.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.8 m 63.71 -72.15 0.06 Allowed 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 125.301 1.441 . . . . 75.34 112.653 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -99.82 -72.16 0.67 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.4 0.68 . . . . 65.34 110.25 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.84 -25.09 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.036 0.754 . . . . 70.32 113.036 -174.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.04 -49.32 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 113.778 1.029 . . . . 70.1 113.778 -169.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.739 ' HB2' ' HA ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -71.56 -43.05 67.05 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 122.798 0.439 . . . . 73.12 111.05 -178.726 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -61.58 -32.54 72.65 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.858 0.463 . . . . 50.24 111.196 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.04 -51.64 63.2 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.871 0.868 . . . . 74.31 110.999 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -60.31 -39.8 88.25 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.347 0.659 . . . . 74.4 111.301 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -63.13 -45.69 90.78 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.475 1.11 . . . . 64.2 111.705 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -64.19 -40.15 95.5 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.845 0.858 . . . . 74.24 111.898 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.478 ' HB3' HD13 ' A' ' 67' ' ' ILE . 59.5 mtm -74.31 -42.01 60.2 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 122.92 0.488 . . . . 64.1 111.977 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.57 -41.91 98.08 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 122.813 0.445 . . . . 74.54 110.791 174.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 93.0 m -62.54 -40.46 96.88 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.262 0.625 . . . . 62.51 111.054 173.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.59 71.95 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.657 0.783 . . . . 75.22 112.137 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.725 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -61.06 -45.32 95.24 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.927 0.491 . . . . 51.41 110.547 170.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 79' ' ' ARG . 42.8 mt -75.24 -18.44 60.1 Favored 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 123.954 0.902 . . . . 73.21 112.28 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 21' ' ' THR . 15.7 mm100 -86.89 -16.21 36.69 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.073 0.949 . . . . 73.11 113.042 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 23' ' ' ALA . 15.0 t -57.92 -33.18 68.51 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.679 0.622 . . . . 75.13 112.679 -173.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -132.47 157.31 44.95 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.856 0.862 . . . . 73.44 109.732 169.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -87.82 37.41 0.8 Allowed 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 112.843 0.683 . . . . 62.43 112.843 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.89 -40.29 92.5 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 120.964 0.412 . . . . 75.55 110.722 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -60.2 -32.21 70.89 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 115.446 -0.797 . . . . 72.53 112.474 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -74.33 -45.96 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 123.236 0.614 . . . . 74.13 110.61 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.4 94.08 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.243 1.017 . . . . 62.32 112.517 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.512 HG21 ' HA ' ' A' ' 84' ' ' CYS . 81.4 mt -80.55 -34.42 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 C-N-CA 123.925 0.89 . . . . 73.01 110.947 177.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.92 31.02 9.58 Favored Glycine 0 N--CA 1.476 1.339 0 CA-C-N 116.548 -0.296 . . . . 72.12 113.613 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 134.92 54.18 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.777 0.831 . . . . 73.05 111.043 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -76.27 99.88 4.92 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.264 0.554 . . . . 65.12 109.923 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.5 p -65.49 -23.7 66.97 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.596 0.758 . . . . 74.23 112.987 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.3 -40.72 74.07 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.335 0.654 . . . . 74.42 112.198 -171.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.34 -29.06 42.1 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 117.469 0.122 . . . . 75.23 110.731 176.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 44' ' ' ILE . 95.0 mt -59.07 -41.03 86.99 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.253 0.621 . . . . 64.44 110.953 173.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.7 t -60.58 -42.8 97.43 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.615 1.166 . . . . 65.14 112.461 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.88 -32.15 73.5 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.08 0.552 . . . . 51.15 111.484 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -73.31 -31.84 64.26 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.528 0.731 . . . . 73.31 112.024 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 40' ' ' LEU . 78.4 mt -63.46 -40.7 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 109.246 -0.65 . . . . 65.22 109.246 169.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 48' ' ' ILE . 34.6 tt0 -61.96 -39.63 92.78 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.869 -0.605 . . . . 72.03 111.509 176.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.533 ' HG2' ' HA ' ' A' ' 5' ' ' VAL . 95.1 mt-10 -51.52 -42.97 62.14 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.077 0.551 . . . . 70.53 111.648 175.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.8 -50.38 12.45 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.507 -0.769 . . . . 65.31 112.665 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.487 HG22 ' HA ' ' A' ' 45' ' ' GLU . 13.8 tt -77.52 -26.58 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 123.008 0.523 . . . . 72.54 112.39 -170.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -68.93 -26.65 65.18 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.42 0.688 . . . . 73.03 111.635 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -65.18 -43.97 89.98 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 120.832 0.349 . . . . 75.53 110.973 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -85.71 -54.54 4.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.801 0.84 . . . . 72.22 112.144 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.54 HG13 ' HD3' ' A' ' 58' ' ' LYS . 2.5 t -99.56 -14.42 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 124.221 1.008 . . . . 70.32 112.672 -169.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.1 27.79 1.43 Allowed Glycine 0 N--CA 1.48 1.629 0 N-CA-C 116.555 1.382 . . . . 52.02 116.555 -169.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -78.54 5.94 9.75 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 124.353 1.061 . . . . 74.51 112.224 170.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.2 p 66.54 13.74 9.42 Favored 'General case' 0 N--CA 1.503 2.184 0 C-N-CA 126.209 1.804 . . . . 64.01 114.23 171.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -70.67 170.86 11.44 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.436 0.694 . . . . 64.23 110.436 172.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.9 mmt -57.18 -25.96 59.85 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.587 0.755 . . . . 70.44 112.496 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HD3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -59.11 -36.75 75.71 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.429 0.692 . . . . 65.52 112.003 172.489 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -70.99 -37.4 72.7 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.705 0.802 . . . . 64.43 111.559 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -40.13 62.91 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 122.912 0.485 . . . . 63.33 111.323 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -74.28 -50.81 17.35 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.96 0.904 . . . . 74.11 112.493 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -64.72 -34.86 79.32 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.026 0.531 . . . . 72.3 111.789 -175.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.7 t -67.43 -55.07 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 C-N-CA 122.916 0.486 . . . . 61.2 110.925 174.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.661 ' HA ' HD12 ' A' ' 67' ' ' ILE . 7.5 ptp180 -63.75 -33.23 75.19 Favored 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 112.836 0.68 . . . . 74.22 112.836 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.7 t -67.4 -36.57 81.55 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.356 0.662 . . . . 71.45 111.102 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -73.59 -36.21 65.51 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.031 -0.986 . . . . 73.14 110.962 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.725 HG23 ' HB2' ' A' ' 23' ' ' ALA . 83.9 mt -60.24 -45.12 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 125.06 1.344 . . . . 73.54 111.358 171.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.6 t -60.03 -40.62 89.97 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.453 -0.794 . . . . 53.15 110.663 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.78 -36.54 84.65 Favored 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.842 1.257 . . . . 53.25 112.688 175.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.38 -38.83 88.42 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.192 0.597 . . . . 75.55 112.01 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -98.05 8.38 44.86 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.491 0.716 . . . . 62.31 112.129 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -69.19 150.99 46.88 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.509 0.723 . . . . 60.31 112.134 -172.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.7 -24.82 56.28 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.622 0.769 . . . . 74.34 113.008 -175.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -69.73 -42.3 74.14 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.885 0.474 . . . . 75.1 111.465 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -155.38 89.91 2.96 Favored Pre-proline 0 CA--C 1.561 1.376 0 C-N-CA 122.638 0.375 . . . . 71.13 111.549 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -86.45 -7.16 7.83 Favored 'Trans proline' 0 CA--C 1.561 1.842 0 C-N-CA 123.05 2.5 . . . . 63.23 112.636 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.93 -22.15 59.78 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.153 0.981 . . . . 72.53 111.387 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 tp -51.46 -51.67 53.01 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.818 1.247 . . . . 75.34 111.17 168.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.451 ' HG3' HD23 ' A' ' 24' ' ' LEU . 36.0 ttp85 -60.47 -41.91 95.14 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.011 -1.45 . . . . 63.02 111.753 177.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -65.57 -32.93 74.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.939 0.496 . . . . 63.54 111.784 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -65.4 -35.43 80.92 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.935 0.494 . . . . 62.53 111.198 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.51 -42.06 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 123.034 0.534 . . . . 71.31 110.415 173.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.6 mt -70.19 -23.11 62.9 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.098 0.959 . . . . 75.41 112.281 178.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.512 ' HA ' HG21 ' A' ' 33' ' ' ILE . 54.0 t -86.02 -13.29 47.94 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.729 0.811 . . . . 75.44 111.609 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.19 9.42 86.08 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-O 120.091 -0.283 . . . . 65.42 113.652 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.33 -43.93 66.06 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.751 0.82 . . . . 72.43 110.522 174.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 59.6 mt -103.56 125.85 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.66 0.784 . . . . 74.2 109.052 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.3 p -83.43 154.74 66.16 Favored Pre-proline 0 N--CA 1.486 1.351 0 C-N-CA 122.834 0.454 . . . . 64.3 110.831 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.12 -35.21 18.94 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 123.657 2.905 . . . . 61.11 115.457 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -33.2 57.91 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 112.184 0.438 . . . . 75.14 112.184 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 95' ' ' MET . 50.6 mt-30 -64.87 -57.27 9.27 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 122.538 0.335 . . . . 74.31 110.875 174.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.9 tp -60.92 -18.02 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 123.044 0.538 . . . . 72.41 112.355 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.11 -36.84 34.77 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 123.559 0.743 . . . . 52.5 112.536 174.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m -92.81 -15.48 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 113.38 0.882 . . . . 53.35 113.38 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 91' ' ' GLN . 92.9 mtp -64.78 138.54 58.44 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 122.966 0.506 . . . . 61.43 112.059 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.5 p -79.16 167.6 20.78 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.621 0.368 . . . . 64.24 110.68 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 50.0 m -59.47 -29.76 68.04 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 122.844 0.458 . . . . 60.32 111.263 174.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.06 -51.58 67.41 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.352 1.061 . . . . 71.12 110.48 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -68.22 -36.76 80.02 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.096 0.959 . . . . 72.54 112.889 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.8 mtm -71.88 -31.42 66.41 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.242 0.617 . . . . 73.51 111.703 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.29 -31.15 30.16 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.977 0.511 . . . . 44.31 111.48 173.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.9 m -96.42 17.66 15.6 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.531 0.733 . . . . 74.3 111.602 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -50.0 -41.15 46.55 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.964 1.306 . . . . 74.53 112.706 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -69.35 -41.02 77.15 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.06 -0.518 . . . . 63.42 109.992 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.0 -15.36 62.56 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.575 0.954 . . . . 74.12 113.575 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -60.13 -41.28 92.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.79 0.436 . . . . 74.25 110.396 174.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -90.21 -47.91 7.49 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.784 0.834 . . . . 72.11 110.498 173.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' ' 111' ' ' ALA . 31.8 mm -89.81 67.91 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 122.274 1.035 . . . . 61.01 110.752 -173.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -105.42 -19.57 13.75 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 115.166 -0.924 . . . . 74.52 109.097 168.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -104.3 -67.2 0.91 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.41 1.084 . . . . 73.24 110.953 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 108' ' ' ILE . . . 54.77 80.98 0.11 Allowed 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.85 1.26 . . . . 62.02 111.937 -174.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 24.1 ptp -149.01 8.34 0.74 Allowed 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 112.253 0.464 . . . . 74.32 112.253 -177.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 49.9 m . . . . . 0 CA--C 1.561 1.372 0 C-N-CA 123.319 0.648 . . . . 61.2 110.303 177.795 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 110.447 -0.205 . . . . 75.5 110.447 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -135.05 131.11 36.62 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.491 0.716 . . . . 64.21 110.501 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 82.0 mtp -74.28 136.28 75.62 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.147 0.579 . . . . 74.42 111.548 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -82.12 -165.95 0.36 Allowed 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.771 2.314 . . . . 73.13 111.87 169.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.462 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 62.3 t -54.49 115.76 9.3 Favored Pre-proline 0 CA--C 1.565 1.548 0 C-N-CA 123.527 0.731 . . . . 55.14 110.996 178.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 5' ' ' VAL . 4.3 Cg_exo -74.46 176.15 10.08 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.208 2.605 . . . . 45.14 114.181 -166.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.9 m -78.22 146.04 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.067 0 CA-C-N 114.953 -1.022 . . . . 72.21 111.896 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.7 p -96.93 110.55 23.04 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.634 0.774 . . . . 73.43 111.083 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.9 t -70.56 -52.1 23.94 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 109.166 -0.679 . . . . 42.32 109.166 169.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -125.76 -174.18 3.02 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.131 0.972 . . . . 71.2 109.813 171.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.1 -18.9 65.69 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 112.31 0.485 . . . . 64.15 112.31 175.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -49.33 -44.15 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 124.924 1.29 . . . . 75.1 113.465 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -54.86 13.18 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.749 0.42 . . . . 65.44 110.83 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 29.2 t-20 -61.98 -33.7 74.8 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 123.534 0.733 . . . . 74.21 111.954 -177.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -60.28 -33.3 72.15 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.976 0.91 . . . . 75.33 111.306 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' A' ' 63' ' ' VAL . 62.8 m -62.7 -48.51 78.98 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.066 0.854 . . . . 75.44 111.354 175.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -54.88 -50.49 68.59 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.413 0.685 . . . . 74.31 110.471 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 17.1 mm-40 -61.89 -47.63 84.12 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 115.584 -0.735 . . . . 63.32 112.423 -175.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.561 ' SD ' HD11 ' A' ' 67' ' ' ILE . 23.2 ptp -72.33 -31.9 66.05 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.045 0.538 . . . . 64.13 112.222 -176.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 91.1 mt -68.48 -41.04 80.68 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.589 0.356 . . . . 75.01 110.665 173.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.2 m -59.67 -38.4 81.41 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.35 0.66 . . . . 64.11 111.236 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.23 97.93 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.343 0.657 . . . . 71.41 111.503 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -66.7 -28.6 68.57 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.482 0.713 . . . . 70.41 111.997 174.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 20' ' ' LEU . 80.2 mt -83.92 -8.46 59.17 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.527 0.731 . . . . 65.25 112.731 177.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -118.43 17.29 13.8 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.733 0.813 . . . . 75.11 111.443 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 t -60.06 -49.38 77.9 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.581 0.956 . . . . 73.12 113.581 -172.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -130.38 28.98 4.91 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 122.908 0.483 . . . . 73.05 111.837 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.4 m80 58.61 26.99 15.13 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.771 0.828 . . . . 74.14 111.124 -174.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -57.1 -47.25 81.52 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.189 1.796 . . . . 64.51 112.514 -177.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -64.8 -33.37 75.82 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.445 0.698 . . . . 72.31 112.191 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.92 -39.94 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 C-N-CA 123.322 0.649 . . . . 75.22 110.871 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.97 70.93 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.106 0.962 . . . . 74.04 112.429 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.43 HD13 ' SG ' ' A' ' 84' ' ' CYS . 64.2 mt -95.34 -22.33 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 123.755 0.822 . . . . 55.22 111.462 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.75 14.87 62.41 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 122.708 0.194 . . . . 55.15 113.438 -175.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.05 139.29 34.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.98 0.912 . . . . 72.34 111.948 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.545 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . 6.0 m-20 -87.66 112.06 21.94 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.466 0.706 . . . . 64.33 110.721 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.2 p -72.52 -45.82 57.51 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.367 1.247 . . . . 73.25 114.367 -168.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -59.17 -35.77 74.13 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 123.767 0.827 . . . . 72.41 113.203 -168.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.545 ' HD3' ' HB2' ' A' ' 36' ' ' ASP . 4.8 ptm180 -74.74 -37.08 62.61 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.403 -0.817 . . . . 64.04 112.17 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 64.4 mt -63.25 -43.16 98.79 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 122.735 0.414 . . . . 74.52 111.571 -177.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.9 p -60.81 -38.95 87.13 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.07 0.948 . . . . 75.14 112.016 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.79 82.14 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.622 0.769 . . . . 51.44 112.084 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 73.3 mt-30 -68.05 -31.4 71.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.242 0.617 . . . . 71.3 111.456 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 40' ' ' LEU . 80.3 mt -67.02 -49.43 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 123.339 0.656 . . . . 63.12 110.161 171.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.0 -50.96 72.1 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.728 1.211 . . . . 71.25 112.943 -173.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.73 -34.74 74.87 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.945 0.72 . . . . 71.32 112.945 -177.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.1 t -70.33 -46.71 63.65 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.461 0.704 . . . . 73.5 111.588 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 tt -82.14 -31.19 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.53 0 N-CA-C 113.157 0.799 . . . . 75.12 113.157 -172.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -65.31 -29.11 69.82 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 123.326 0.65 . . . . 71.23 112.536 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -59.46 -42.88 93.02 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 122.904 0.481 . . . . 74.41 111.785 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.78 -45.76 9.52 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.675 0.79 . . . . 74.04 112.064 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.746 HG13 ' HD2' ' A' ' 58' ' ' LYS . 17.5 t -95.66 -13.25 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 124.171 0.988 . . . . 61.13 112.902 -168.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.25 11.09 2.25 Favored Glycine 0 CA--C 1.54 1.608 0 N-CA-C 116.962 1.545 . . . . 72.12 116.962 -169.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -65.32 -21.28 66.69 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 117.697 0.748 . . . . 73.42 111.55 166.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.433 ' HA ' ' HB3' ' A' ' 59' ' ' TYR . 30.7 p 66.01 12.07 8.18 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 126.639 1.975 . . . . 71.42 114.832 171.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -74.08 78.89 1.73 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.021 0.528 . . . . 62.12 111.712 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tpt 70.67 -60.0 0.51 Allowed 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 126.008 1.723 . . . . 73.33 113.639 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.746 ' HD2' HG13 ' A' ' 52' ' ' VAL . 10.3 ttmm -50.32 -44.53 54.24 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.943 1.297 . . . . 74.03 113.405 -173.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.433 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 81.6 t80 -58.51 -48.83 79.53 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 112.802 0.667 . . . . 70.21 112.802 -175.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -64.15 -49.84 70.55 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 122.926 0.141 . . . . 73.23 110.929 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -60.2 -37.74 81.18 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.464 0.706 . . . . 73.32 111.975 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -64.39 -47.06 80.65 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.135 0.974 . . . . 73.53 111.391 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.481 HG21 ' SG ' ' A' ' 16' ' ' CYS . 96.7 t -63.87 -38.8 83.3 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 C-N-CA 122.612 0.365 . . . . 55.31 110.912 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -59.23 -42.88 92.11 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.433 0.693 . . . . 74.44 111.101 172.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.9 m -67.29 -36.51 81.7 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.334 0.654 . . . . 61.24 111.802 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.528 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 25.2 mmt180 -59.11 -53.39 58.87 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.514 0.726 . . . . 74.32 110.45 176.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.561 HD11 ' SD ' ' A' ' 19' ' ' MET . 71.4 mt -56.19 -42.31 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 C-N-CA 123.904 0.881 . . . . 64.11 111.762 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 39.1 t -55.3 -51.48 66.57 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.816 0.846 . . . . 70.42 112.153 -176.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.57 ' HB2' HD21 ' A' ' 75' ' ' ASN . 2.4 p-10 -71.54 -26.67 62.74 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 112.441 0.534 . . . . 74.24 112.441 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 66' ' ' ARG . 94.3 mt -63.12 -39.12 93.77 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 122.882 0.473 . . . . 72.24 111.845 177.05 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -103.24 3.59 35.73 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.5 0.72 . . . . 75.32 112.713 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 68' ' ' SER . 4.1 t70 -82.08 146.98 29.36 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.044 0.45 . . . . 74.41 111.873 -174.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -18.48 45.51 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.94 0.896 . . . . 62.31 112.924 -176.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -70.25 -35.63 73.93 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.333 0.653 . . . . 73.43 111.738 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.57 HD21 ' HB2' ' A' ' 69' ' ' ASN . 19.0 p-10 -137.63 68.77 52.61 Favored Pre-proline 0 CA--C 1.57 1.724 0 C-N-CA 123.456 0.702 . . . . 72.22 112.468 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.95 -22.41 8.75 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.541 2.161 . . . . 53.5 112.522 173.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -63.53 -31.33 72.46 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.205 1.402 . . . . 75.51 111.944 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 56.9 tp -54.79 -57.08 12.97 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 124.011 0.924 . . . . 74.34 112.574 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.415 ' HD2' HD22 ' A' ' 24' ' ' LEU . 9.5 tpp180 -74.11 -34.11 63.82 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.551 0.34 . . . . 64.1 111.464 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -53.92 -43.75 70.0 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.859 0.464 . . . . 75.1 111.127 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -67.0 -34.57 78.02 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 123.851 0.86 . . . . 74.41 112.18 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.63 -47.57 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 CA-C-O 120.975 0.417 . . . . 61.3 110.975 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.11 -32.85 71.38 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.246 1.019 . . . . 52.02 112.32 175.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.43 ' SG ' HD13 ' A' ' 33' ' ' ILE . 98.0 m -80.12 -13.44 59.27 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.245 0.618 . . . . 71.34 112.312 176.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.53 3.87 74.18 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 119.7 -0.5 . . . . 62.15 114.195 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.16 74.86 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.467 0.707 . . . . 64.01 110.545 175.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 66.7 mt -107.57 137.87 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 123.849 0.859 . . . . 74.43 109.003 173.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.4 p -86.88 152.52 53.84 Favored Pre-proline 0 N--CA 1.487 1.395 0 O-C-N 122.177 -0.327 . . . . 73.32 111.176 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -56.08 -22.74 40.84 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 122.832 2.354 . . . . 61.13 114.117 169.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -69.16 -45.39 70.14 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.291 0.636 . . . . 65.53 110.717 174.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -56.26 -56.62 18.72 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.633 0.773 . . . . 74.2 111.513 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.409 HG21 HH22 ' A' ' 79' ' ' ARG . 9.8 tp -63.35 -20.46 26.13 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 C-N-CA 123.525 0.73 . . . . 70.34 112.314 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.29 -33.68 59.09 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.399 0.68 . . . . 62.25 112.498 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.2 m -105.53 -15.5 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 113.343 0.868 . . . . 72.31 113.343 -175.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.496 ' HE3' ' HG2' ' A' ' 100' ' ' MET . 31.5 ttp -76.8 137.18 39.09 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.566 0.746 . . . . 63.45 112.676 -173.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 t -75.63 165.73 24.63 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.616 0.766 . . . . 72.53 111.738 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.3 p -64.74 -30.24 71.25 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 114.071 1.137 . . . . 74.12 114.071 -171.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.55 -48.94 73.17 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.759 0.79 . . . . 75.34 110.445 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -78.0 -23.04 48.46 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 114.821 -1.081 . . . . 74.21 112.106 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.496 ' HG2' ' HE3' ' A' ' 95' ' ' MET . 68.2 mtm -68.5 -41.03 80.62 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 110.042 -0.355 . . . . 61.03 110.042 169.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.53 70.97 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.988 0.515 . . . . 72.51 111.493 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.3 m 62.52 46.65 5.48 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.427 1.091 . . . . 75.4 111.855 173.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.29 -36.49 68.7 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.123 0.969 . . . . 71.04 113.285 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -59.75 -45.86 90.93 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.751 0.421 . . . . 74.51 110.845 173.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.52 -3.93 23.95 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.839 0.856 . . . . 52.51 113.21 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -84.19 -36.41 22.83 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.818 0.447 . . . . 62.42 110.347 170.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -75.99 -46.12 31.17 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.807 0.843 . . . . 41.15 110.921 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.4 mm -72.81 -22.98 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 C-N-CA 124.313 1.045 . . . . 62.03 111.328 176.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 66.31 179.09 0.21 Allowed 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 124.818 1.247 . . . . 74.21 109.965 -174.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.45 91.51 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.246 0 O-C-N 121.411 -0.805 . . . . 72.32 110.821 171.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -101.26 -166.54 1.32 Allowed 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 123.88 0.872 . . . . 63.23 110.855 178.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -140.02 148.18 41.46 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.892 0.877 . . . . 70.04 110.337 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.495 1.786 0 C-N-CA 125.211 1.404 . . . . 74.23 111.681 -178.595 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 111.955 0.354 . . . . 64.23 111.955 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -73.86 -22.96 59.57 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 113.251 0.834 . . . . 73.24 113.251 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.6 ptp -64.41 153.35 86.75 Favored Pre-proline 0 N--CA 1.484 1.263 0 C-N-CA 122.589 0.355 . . . . 61.42 111.129 174.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.85 142.39 33.16 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.794 2.33 . . . . 62.35 113.32 174.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.6 m -61.77 157.67 47.53 Favored Pre-proline 0 CA--C 1.562 1.435 0 C-N-CA 123.862 0.865 . . . . 71.13 111.935 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -58.14 159.21 19.28 Favored 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.061 1.841 . . . . 73.03 113.186 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.9 m -126.4 165.61 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.794 0.838 . . . . 74.14 112.192 -167.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -59.06 101.77 0.1 Allowed 'General case' 0 CA--C 1.556 1.175 0 CA-C-N 115.058 -0.974 . . . . 73.32 112.525 172.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.9 m -92.98 133.74 35.83 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.484 0.714 . . . . 63.01 109.884 172.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 64.85 175.33 0.2 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 124.333 1.053 . . . . 71.11 112.688 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.95 -16.77 62.68 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.942 0.497 . . . . 63.21 112.208 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.08 -60.56 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 123.513 0.725 . . . . 73.03 111.052 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -31.88 70.34 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.064 -0.516 . . . . 73.21 111.153 177.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -59.18 -33.05 70.48 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 120.729 0.3 . . . . 72.53 110.7 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -78.91 -35.91 42.74 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 123.208 0.603 . . . . 74.01 111.561 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.2 m -62.6 -53.93 47.19 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 123.621 0.768 . . . . 54.35 112.37 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 ptt85 -55.07 -40.83 70.76 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 112.267 0.469 . . . . 62.44 112.267 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.93 -34.86 69.4 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.876 1.065 . . . . 70.25 113.876 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.786 ' SD ' HD11 ' A' ' 67' ' ' ILE . 23.8 ptp -72.83 -29.46 63.25 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 120.76 0.314 . . . . 73.42 111.022 176.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.18 -41.14 67.34 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.374 0.67 . . . . 70.1 111.061 172.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.7 m -62.99 -38.18 90.13 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.546 0.738 . . . . 54.44 110.425 173.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.524 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -61.56 -39.44 91.14 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.086 0.954 . . . . 73.12 111.632 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.59 74.27 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.391 0.676 . . . . 72.22 112.61 174.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.92 -11.28 51.13 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 113.396 0.887 . . . . 73.43 113.396 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.524 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 19.6 pt20 -116.79 5.36 13.07 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 123.398 0.679 . . . . 72.43 111.788 178.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -55.55 -39.34 70.47 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.089 0.955 . . . . 73.2 113.272 -170.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -124.01 20.48 9.11 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 123.686 0.794 . . . . 63.41 109.992 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.5 m80 63.26 38.51 10.33 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 124.837 1.255 . . . . 71.21 111.045 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.08 -47.48 79.92 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.778 1.231 . . . . 44.35 111.569 -173.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -62.51 -29.36 70.49 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.077 -0.965 . . . . 75.15 111.789 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.9 t -70.35 -42.59 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 123.152 0.581 . . . . 62.15 110.57 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.44 79.74 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.752 0.821 . . . . 43.22 112.091 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.9 mt -88.05 -25.56 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 123.791 0.837 . . . . 63.13 111.635 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.86 28.48 37.93 Favored Glycine 0 CA--C 1.536 1.389 0 CA-C-N 116.294 -0.412 . . . . 52.21 113.732 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.16 138.35 36.38 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.142 0.977 . . . . 64.33 111.416 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -80.09 98.39 7.25 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.643 0.377 . . . . 53.22 110.373 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -67.35 -23.29 65.59 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.107 1.151 . . . . 65.52 114.107 -173.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -70.64 -41.9 71.56 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.275 0.63 . . . . 74.01 111.751 -173.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -73.41 -34.04 65.28 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.116 0.566 . . . . 74.4 111.443 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.61 -48.89 70.72 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.876 0.47 . . . . 74.42 111.276 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.5 p -58.89 -37.31 76.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.322 1.049 . . . . 72.53 112.089 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.49 -31.96 72.78 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.081 0.953 . . . . 60.41 112.161 173.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -78.1 -30.29 49.45 Favored 'General case' 0 CA--C 1.563 1.442 0 C-N-CA 123.285 0.634 . . . . 74.14 112.241 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' A' ' 89' ' ' PRO . 3.6 mp -65.52 -43.46 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 N-CA-C 108.952 -0.759 . . . . 63.2 108.952 166.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -59.77 -51.54 69.33 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.244 -0.889 . . . . 75.52 112.127 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -64.36 -32.63 74.32 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.673 0.389 . . . . 74.1 111.828 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.12 -49.16 65.86 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.349 0.66 . . . . 74.11 111.827 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.6 tt -72.14 -24.02 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.537 0 C-N-CA 122.769 0.427 . . . . 55.53 111.017 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.84 -37.55 67.39 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.681 0.792 . . . . 72.14 111.682 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -64.95 -42.29 94.75 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.25 0.62 . . . . 74.23 112.573 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -91.65 -54.06 4.04 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.589 0.709 . . . . 71.31 112.318 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -103.69 -9.41 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 C-N-CA 124.217 1.007 . . . . 74.44 112.988 -166.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.94 14.15 0.14 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 117.809 1.884 . . . . 52.22 117.809 -171.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -64.81 -12.2 45.35 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.792 0.837 . . . . 64.43 112.365 163.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p 61.99 34.86 16.42 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 125.729 1.611 . . . . 71.53 113.294 173.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.87 -169.0 2.36 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-N 115.806 -0.634 . . . . 73.1 110.781 178.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -56.85 -44.48 82.18 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.195 0.998 . . . . 55.52 112.828 -171.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -64.24 -35.9 82.33 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.24 0.616 . . . . 74.44 112.198 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -62.31 -48.37 80.14 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.519 0.728 . . . . 63.1 110.828 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.9 mmtp -55.12 -47.46 74.99 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.288 0.992 . . . . 55.54 111.404 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -61.53 -47.78 84.04 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.542 0.737 . . . . 71.21 111.585 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -60.86 -37.12 81.02 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.722 0.809 . . . . 72.35 112.189 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.4 t -69.08 -46.57 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 122.988 0.515 . . . . 54.5 111.038 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 39.7 mtm180 -61.26 -40.55 94.5 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 122.587 0.355 . . . . 71.25 111.626 179.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.3 t -67.85 -36.1 79.73 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.486 0.715 . . . . 73.4 111.161 175.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.53 ' HE ' ' HG ' ' A' ' 70' ' ' LEU . 6.6 tpm_? -65.61 -43.42 89.65 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.797 0.439 . . . . 75.11 110.976 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.786 HD11 ' SD ' ' A' ' 19' ' ' MET . 53.8 mt -58.13 -57.42 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 123.418 0.687 . . . . 73.43 110.627 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.2 p -58.37 -42.74 87.66 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.136 0.974 . . . . 71.15 112.208 -174.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.468 ' O ' HD23 ' A' ' 78' ' ' LEU . 86.0 m-20 -75.2 -26.99 59.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.134 0.573 . . . . 74.03 112.509 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.53 ' HG ' ' HE ' ' A' ' 66' ' ' ARG . 55.7 mt -66.39 -62.7 1.33 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.745 -0.465 . . . . 73.22 109.745 170.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 18.7 ptpt -75.91 15.86 0.48 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 113.357 0.873 . . . . 71.32 113.357 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.69 135.99 56.47 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.263 1.025 . . . . 64.31 112.44 -175.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.85 -29.91 32.32 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.39 -0.823 . . . . 61.15 111.945 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -74.88 -27.18 60.14 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 122.947 0.499 . . . . 61.52 111.49 -175.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -136.3 85.1 27.61 Favored Pre-proline 0 CA--C 1.564 1.481 0 C-N-CA 123.778 0.831 . . . . 73.43 109.118 172.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -71.39 -25.82 21.16 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.708 2.272 . . . . 70.23 111.569 173.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.495 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 16.0 m-20 -66.88 -20.43 65.92 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.16 0.984 . . . . 73.23 112.436 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 69' ' ' ASN . 41.5 tp -63.35 -56.33 17.24 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.021 0.528 . . . . 41.11 111.959 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -71.57 -32.91 68.6 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.368 0.267 . . . . 65.11 110.615 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.495 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 78.4 ttt180 -56.67 -38.68 72.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.596 1.158 . . . . 72.33 111.744 176.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.66 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 92.8 m-20 -73.82 -31.39 63.21 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.677 0.791 . . . . 40.14 112.278 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.5 t -71.3 -39.16 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.314 0.578 . . . . 74.15 110.52 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.41 -33.44 60.96 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.234 1.013 . . . . 63.11 111.936 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.66 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 20.0 p -81.93 -17.25 47.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 122.014 -0.429 . . . . 62.13 111.204 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.39 14.57 55.5 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 114.574 0.589 . . . . 51.25 114.574 177.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.27 -55.15 13.16 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 117.713 0.757 . . . . 74.3 110.72 173.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.2 mp -97.28 131.01 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 N-CA-C 108.61 -0.885 . . . . 74.1 108.61 169.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.1 p -80.16 148.0 66.4 Favored Pre-proline 0 N--CA 1.484 1.234 0 C-N-CA 122.559 0.343 . . . . 71.43 111.02 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.478 ' HB3' HD12 ' A' ' 44' ' ' ILE . 90.5 Cg_exo -49.33 -36.05 36.86 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 123.705 2.937 . . . . 45.03 115.812 176.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -67.54 -37.07 82.17 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.459 0.304 . . . . 61.12 111.568 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 95' ' ' MET . 29.5 mt-30 -67.21 -56.45 9.84 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.967 0.507 . . . . 65.53 111.252 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.37 -27.5 33.2 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.571 0 C-N-CA 123.009 0.524 . . . . 64.11 112.147 -176.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.25 -36.32 74.39 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 123.48 0.712 . . . . 40.34 112.446 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.1 m -95.77 -4.88 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 112.669 0.618 . . . . 71.3 112.669 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 91' ' ' GLN . 94.5 mtp -75.42 127.5 33.25 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 122.79 0.436 . . . . 73.04 111.94 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 98' ' ' GLU . 89.1 m -68.04 159.48 30.73 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.596 1.159 . . . . 41.31 110.568 173.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.6 p -52.67 -40.1 62.54 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.904 0.882 . . . . 75.14 111.654 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.488 ' H ' HG22 ' A' ' 96' ' ' THR . 24.3 tt0 -63.9 -40.44 96.51 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.233 0.613 . . . . 73.52 111.989 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.471 ' HG2' ' HB ' ' A' ' 96' ' ' THR . 15.9 mm-40 -59.42 -39.68 84.28 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.461 0.648 . . . . 63.43 111.06 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.438 ' SD ' HD21 ' A' ' 78' ' ' LEU . 76.4 mtm -82.08 -24.94 34.94 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 124.413 1.085 . . . . 73.1 112.806 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.83 11.9 27.73 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.168 0.987 . . . . 34.13 111.404 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.7 t -54.46 120.12 6.18 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.266 1.026 . . . . 71.24 112.731 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -62.78 -22.15 66.38 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.908 0.883 . . . . 71.43 112.311 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -76.28 -51.97 10.94 Favored 'General case' 0 CA--C 1.564 1.486 0 C-N-CA 123.29 0.636 . . . . 73.44 109.316 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.5 mt -71.19 -31.41 67.6 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 114.771 1.397 . . . . 65.23 114.771 -173.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.38 -24.46 66.49 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 113.284 0.846 . . . . 72.3 113.284 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -101.35 -13.25 18.09 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.27 0.628 . . . . 75.11 111.795 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 40.4 mm -76.78 -63.5 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 N-CA-C 109.286 -0.635 . . . . 63.51 109.286 167.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? 58.65 41.01 22.79 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 124.144 0.978 . . . . 73.45 109.884 168.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? 63.47 77.74 0.31 Allowed 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 125.15 1.38 . . . . 70.42 110.84 -167.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.9 36.4 0.76 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.629 0.771 . . . . 63.11 112.417 -176.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.2 tpt -92.61 10.12 31.83 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 123.989 0.916 . . . . 64.24 109.826 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 CA--C 1.565 1.541 0 C-N-CA 124.278 1.031 . . . . 73.2 112.238 -176.375 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 110.948 -0.019 . . . . 71.12 110.948 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -139.49 55.41 1.68 Allowed 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.921 0.867 . . . . 71.23 109.498 177.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -79.33 137.0 56.16 Favored Pre-proline 0 CA--C 1.554 1.099 0 CA-C-N 115.362 -0.835 . . . . 74.04 109.653 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -59.27 116.03 2.99 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.386 2.057 . . . . 63.31 111.679 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 m -59.71 139.07 89.93 Favored Pre-proline 0 CA--C 1.564 1.504 0 C-N-CA 123.037 0.535 . . . . 52.22 111.47 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.9 162.75 33.69 Favored 'Trans proline' 0 C--N 1.369 1.606 0 C-N-CA 123.387 2.724 . . . . 74.44 115.114 -167.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.11 150.96 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-N 114.817 -1.083 . . . . 52.32 111.264 173.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.8 p -71.58 119.04 15.17 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.949 0.5 . . . . 73.12 111.174 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.0 m -75.88 163.07 27.58 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.551 0.34 . . . . 72.43 110.507 172.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.62 87.51 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.881 0.872 . . . . 52.42 112.203 -172.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 73.84 -47.37 0.65 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 126.544 1.938 . . . . 72.33 114.327 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.3 t -58.31 -62.66 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 113.631 0.974 . . . . 72.22 113.631 -171.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -70.43 -30.42 67.27 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.322 0.249 . . . . 64.14 111.666 -172.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.9 -44.98 79.4 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.786 0.435 . . . . 62.24 110.267 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -61.31 -47.32 86.47 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.183 0.593 . . . . 74.33 111.25 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 85.9 m -59.43 -39.94 85.16 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.69 0.796 . . . . 34.2 111.763 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -63.09 -47.85 81.12 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.927 0.891 . . . . 73.21 110.156 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.26 -45.73 79.97 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.994 0.918 . . . . 53.42 111.486 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.428 ' HB3' HD13 ' A' ' 67' ' ' ILE . 59.1 mtm -74.27 -27.56 60.8 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.777 0.831 . . . . 62.05 113.233 -176.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 82.0 mt -65.0 -45.44 85.59 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 118.031 0.378 . . . . 72.44 110.573 172.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -68.0 -34.37 76.38 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 115.742 -0.663 . . . . 71.33 110.879 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.05 -31.67 69.41 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.799 0.84 . . . . 65.14 111.791 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.586 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -66.29 -26.0 67.12 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.786 0.834 . . . . 55.12 111.082 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.413 HD21 ' CZ ' ' A' ' 79' ' ' ARG . 66.5 mt -78.83 -36.05 43.09 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.601 0.761 . . . . 63.53 111.008 171.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -88.44 16.87 5.84 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.236 1.014 . . . . 74.4 112.447 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 t -63.75 -32.58 74.12 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.514 0.726 . . . . 74.23 111.478 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -154.01 169.79 22.65 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.092 0.957 . . . . 74.54 108.834 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -85.43 30.07 0.64 Allowed 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.872 0.693 . . . . 75.22 112.872 -174.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.04 -49.61 76.69 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.785 0.834 . . . . 72.52 111.882 173.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -66.28 -29.16 69.32 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.376 0.27 . . . . 74.04 111.515 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.1 t -73.99 -38.06 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 123.719 0.808 . . . . 52.51 110.842 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.5 -36.26 83.32 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.015 0.926 . . . . 30.34 111.532 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.454 HG21 ' HA ' ' A' ' 84' ' ' CYS . 78.1 mt -80.85 -25.73 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.485 0 C-N-CA 123.799 0.84 . . . . 75.34 110.836 174.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.12 -1.25 60.74 Favored Glycine 0 N--CA 1.483 1.767 0 N-CA-C 114.25 0.46 . . . . 73.11 114.25 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.28 111.16 20.18 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.356 0.662 . . . . 52.33 111.073 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -70.4 139.18 51.82 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-O 121.593 0.711 . . . . 70.05 110.33 175.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.2 p -73.23 -25.22 60.64 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 115.735 1.754 . . . . 75.54 115.735 -160.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.54 -48.26 78.24 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 113.799 1.037 . . . . 71.41 113.799 -167.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -29.54 67.21 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 118.557 0.617 . . . . 70.4 111.219 179.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.36 -35.8 81.6 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.33 0.652 . . . . 72.44 110.782 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.9 t -77.17 -34.37 56.35 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.841 0.856 . . . . 60.12 112.316 172.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.89 74.17 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 114.317 1.229 . . . . 63.12 114.317 -171.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -63.19 -33.1 74.75 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 120.934 0.397 . . . . 71.52 111.376 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' A' ' 93' ' ' ALA . 55.8 mt -74.46 -33.73 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.265 0.626 . . . . 72.24 111.652 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.01 -46.29 68.31 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.164 0.986 . . . . 71.51 111.96 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.9 pp20? -78.28 -35.75 47.57 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 116.18 -0.463 . . . . 71.23 112.106 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.39 -49.01 78.63 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 123.16 0.584 . . . . 63.15 112.081 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -70.72 -26.18 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.307 0 C-N-CA 123.78 0.832 . . . . 62.12 110.781 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.697 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 88.7 t80 -63.58 -39.57 94.74 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.143 0.577 . . . . 74.14 112.534 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 91.0 mtt180 -52.68 -46.41 67.24 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.043 0.937 . . . . 75.34 112.383 -173.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.42 -56.54 3.17 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.936 0.717 . . . . 75.53 112.936 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.541 HG12 ' HD2' ' A' ' 58' ' ' LYS . 29.1 m -113.01 -13.37 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 114.599 1.333 . . . . 70.02 114.599 -168.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.697 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -63.49 -5.64 12.78 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 115.107 0.803 . . . . 71.41 115.107 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -61.12 -5.8 1.67 Allowed 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 124.856 1.262 . . . . 63.11 113.205 166.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.4 p 67.4 46.9 1.34 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.935 2.094 . . . . 55.05 111.934 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -77.45 171.75 14.4 Favored 'General case' 0 CA--C 1.56 1.363 0 CA-C-N 113.913 -1.494 . . . . 74.04 110.998 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -61.01 -33.73 73.72 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.17 0.588 . . . . 74.34 111.125 173.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.541 ' HD2' HG12 ' A' ' 52' ' ' VAL . 18.8 ttmm -59.76 -42.4 93.17 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.729 0.812 . . . . 71.14 111.105 172.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -64.8 -43.3 93.61 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.745 0.818 . . . . 75.03 111.408 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.4 mmtp -54.84 -53.59 53.38 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.3 0.64 . . . . 70.33 111.068 178.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.32 -37.15 84.72 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.267 -0.879 . . . . 63.01 112.225 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.47 HH22 ' HE2' ' A' ' 100' ' ' MET . 10.5 tpt180 -70.89 -32.94 70.06 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.894 0.477 . . . . 74.0 111.766 -176.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.9 t -70.37 -43.61 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.864 0.866 . . . . 65.21 111.229 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 66.3 mtm180 -59.44 -42.13 91.21 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.276 0.56 . . . . 73.1 110.604 175.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.1 t -63.39 -51.31 66.37 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 115.073 -0.967 . . . . 71.14 111.786 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.53 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -65.06 -56.89 10.42 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.158 0.583 . . . . 74.45 111.565 -168.745 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.586 HG23 ' HB2' ' A' ' 23' ' ' ALA . 80.6 mt -56.24 -42.53 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 124.01 0.924 . . . . 63.03 111.514 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.9 t -61.84 -40.81 96.6 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.739 0.815 . . . . 52.45 111.945 176.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.572 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 17.4 m120 -75.83 -24.24 55.82 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.776 0.831 . . . . 72.3 112.92 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.609 HD22 ' HD3' ' A' ' 79' ' ' ARG . 87.0 mt -71.52 -31.41 67.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.163 0.585 . . . . 70.52 111.185 176.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -112.05 15.21 20.71 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.022 0.929 . . . . 73.41 111.885 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.572 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 8.6 t70 -65.15 137.34 57.57 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.536 0.734 . . . . 71.24 112.504 -170.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.09 -27.82 60.05 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.437 0.695 . . . . 73.02 112.453 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -84.97 -41.29 16.0 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.243 0.617 . . . . 74.04 110.364 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -132.84 77.82 67.69 Favored Pre-proline 0 CA--C 1.563 1.467 0 C-N-CA 123.088 0.555 . . . . 75.44 111.044 178.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -80.69 -20.24 8.05 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.651 2.234 . . . . 74.21 112.132 170.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 7.2 m-20 -61.28 -25.3 67.01 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.806 1.243 . . . . 60.44 112.301 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 55.8 tp -53.46 -58.37 7.38 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.871 0.868 . . . . 64.23 111.661 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.609 ' HD3' HD22 ' A' ' 70' ' ' LEU . 5.7 tpt180 -79.43 -31.0 42.51 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.817 0.673 . . . . 65.22 112.817 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.403 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 20.3 ttt180 -60.39 -31.84 70.75 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.079 0.551 . . . . 73.53 112.066 -178.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 90.0 m-20 -69.61 -30.62 68.4 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.139 0.576 . . . . 74.42 111.873 172.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.559 HG22 ' HB ' ' A' ' 87' ' ' ILE . 16.5 t -72.66 -35.87 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 122.577 0.351 . . . . 62.11 110.489 174.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.32 -36.12 82.1 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.782 0.833 . . . . 72.21 111.771 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.454 ' HA ' HG21 ' A' ' 33' ' ' ILE . 31.4 p -82.56 -16.32 48.99 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 122.765 0.426 . . . . 73.05 111.737 175.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.28 10.72 55.64 Favored Glycine 0 N--CA 1.476 1.336 0 N-CA-C 114.644 0.618 . . . . 72.51 114.644 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.91 -54.74 16.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.576 0.75 . . . . 64.34 111.477 174.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' A' ' 82' ' ' VAL . 65.2 mt -89.47 137.8 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.164 0.585 . . . . 72.35 109.79 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 p -76.87 152.59 82.74 Favored Pre-proline 0 N--CA 1.486 1.349 0 C-N-CA 122.967 0.507 . . . . 74.22 111.567 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -50.99 -32.48 38.61 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 123.25 2.633 . . . . 72.15 113.936 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -68.81 -48.0 64.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.716 0.406 . . . . 74.3 112.068 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -65.16 -47.09 78.23 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.051 0.389 . . . . 64.22 112.051 -173.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -65.35 -21.42 29.26 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.751 0 C-N-CA 122.555 0.342 . . . . 72.13 111.821 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.456 ' HB2' HG23 ' A' ' 44' ' ' ILE . . . -82.55 -33.55 28.1 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.627 0.771 . . . . 75.21 112.936 175.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.0 m -92.3 -31.69 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 113.593 0.96 . . . . 64.31 113.593 -174.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 67.4 mtm -61.81 128.26 35.35 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.962 0.727 . . . . 74.2 112.962 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.3 p -71.18 171.99 10.04 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.015 0.526 . . . . 70.14 111.192 173.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.0 m -56.03 -38.67 70.87 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 122.946 0.499 . . . . 71.23 111.937 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -62.0 -35.19 77.79 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.302 1.041 . . . . 64.21 111.314 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -77.75 -37.9 48.13 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.734 0.813 . . . . 63.12 111.158 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.47 ' HE2' HH22 ' A' ' 62' ' ' ARG . 39.2 mtm -75.34 -1.32 23.19 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.841 0.856 . . . . 75.13 112.606 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.84 -14.57 62.0 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.939 0.896 . . . . 62.42 112.361 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.6 m 63.72 68.79 0.57 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.376 1.07 . . . . 64.34 110.625 -177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.33 -32.3 73.62 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.575 1.15 . . . . 53.42 111.833 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.66 -37.57 82.56 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.612 0.765 . . . . 71.04 111.976 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.407 ' HA ' ' HB ' ' A' ' 108' ' ' ILE . 55.7 mt -74.57 -4.56 37.75 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 112.819 0.674 . . . . 71.01 112.819 -176.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.546 ' HE2' ' HA ' ' A' ' 106' ' ' LYS . 11.1 mmpt? -67.1 -41.46 86.25 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.612 0.765 . . . . 70.3 111.31 170.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -92.74 -21.24 20.07 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.712 -0.676 . . . . 74.41 111.726 -179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 105' ' ' LEU . 47.2 mm -77.07 87.14 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.359 0 CA-C-O 121.84 0.829 . . . . 75.22 109.495 173.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -119.93 164.89 15.39 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.558 1.143 . . . . 73.13 109.946 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.52 18.85 6.05 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 124.407 1.083 . . . . 72.02 112.162 -173.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.8 3.82 54.56 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.297 1.039 . . . . 73.53 112.509 -176.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 53.5 tpp -70.98 91.79 0.89 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.973 0.509 . . . . 71.43 109.881 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 m . . . . . 0 CA--C 1.571 1.777 0 C-N-CA 125.066 1.346 . . . . 74.52 111.628 -178.257 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 119.692 -0.194 . . . . 70.23 110.546 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 62.33 79.44 0.26 Allowed 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.828 1.251 . . . . 75.23 111.531 -175.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.8 mtt -92.76 143.71 27.45 Favored Pre-proline 0 N--CA 1.483 1.204 0 C-N-CA 123.36 0.664 . . . . 73.54 110.377 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.88 157.54 37.87 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.491 2.128 . . . . 70.52 113.092 176.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.47 150.58 84.81 Favored Pre-proline 0 CA--C 1.559 1.305 0 C-N-CA 123.033 0.533 . . . . 54.21 110.499 174.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.94 141.96 50.17 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.774 2.316 . . . . 45.41 113.097 -173.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.1 m -70.0 126.99 31.25 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 CA-C-N 115.762 -0.653 . . . . 61.12 110.357 174.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.1 p -70.26 99.3 1.51 Allowed 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.495 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.9 t -54.13 -43.63 70.68 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.207 1.003 . . . . 73.32 112.897 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -147.41 173.07 12.98 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.063 -0.971 . . . . 54.55 110.164 -169.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.04 -34.39 56.24 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.189 0.995 . . . . 73.3 112.81 174.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.46 -50.82 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.388 0.675 . . . . 63.14 111.411 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -55.98 -47.28 77.98 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.617 1.167 . . . . 74.44 112.231 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -67.14 -44.35 80.04 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.386 -0.824 . . . . 73.42 111.22 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -63.66 -39.43 94.32 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.661 0.784 . . . . 73.31 111.556 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -64.43 -44.08 92.29 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.951 0.901 . . . . 53.43 111.37 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HE ' ' HB2' ' A' ' 42' ' ' ALA . 49.0 ttt180 -60.28 -42.31 95.15 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.144 0.577 . . . . 74.22 111.283 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -56.95 -52.16 66.3 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 112.868 0.692 . . . . 73.43 112.868 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -72.65 -28.05 62.5 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 112.672 0.619 . . . . 71.1 112.672 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.17 -41.31 99.22 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 122.803 0.441 . . . . 62.41 111.022 167.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -66.27 -40.59 90.21 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.562 0.745 . . . . 61.31 110.624 176.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.28 -32.02 73.44 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.97 0.908 . . . . 64.12 112.155 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.43 -30.63 71.73 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.323 0.649 . . . . 74.34 111.674 173.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.667 ' HB3' HD21 ' A' ' 83' ' ' LEU . 84.5 mt -86.97 -29.22 22.2 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.919 0.887 . . . . 70.0 112.415 176.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -86.85 -19.4 29.0 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 113.567 0.951 . . . . 61.43 113.567 -177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -52.47 -47.53 66.45 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 114.185 1.18 . . . . 63.13 114.185 -171.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -97.43 2.3 50.22 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.307 0.643 . . . . 75.03 112.119 176.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 m80 62.03 19.98 11.23 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.914 1.286 . . . . 53.55 113.781 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -57.87 -26.23 61.83 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 113.254 0.835 . . . . 75.22 113.254 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -62.73 -23.36 67.14 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.592 0.757 . . . . 65.0 112.757 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.53 -44.61 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.22 0.608 . . . . 75.04 111.685 -176.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.15 -30.17 68.34 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.307 0.643 . . . . 72.51 111.902 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -88.04 -31.35 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 C-N-CA 123.688 0.795 . . . . 75.51 112.043 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.42 55.64 6.69 Favored Glycine 0 N--CA 1.473 1.137 0 CA-C-N 116.109 -0.496 . . . . 75.11 112.433 -171.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -118.92 127.41 53.46 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.022 0.929 . . . . 74.11 110.872 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.483 ' HB2' ' HG2' ' A' ' 39' ' ' ARG . 7.8 m-20 -78.79 97.97 6.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.421 0.288 . . . . 64.02 110.567 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.1 m -57.65 -26.21 61.3 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.665 0.786 . . . . 50.02 112.966 -177.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.16 -38.7 66.12 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.103 0.561 . . . . 73.2 112.513 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 17.0 ptp180 -76.6 -31.46 57.47 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-N 118.494 0.588 . . . . 72.22 110.468 177.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.48 -49.14 70.2 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.886 0.474 . . . . 73.21 110.38 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.9 p -64.72 -29.66 70.65 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.634 0.774 . . . . 62.5 112.028 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.485 ' HB2' ' HE ' ' A' ' 17' ' ' ARG . . . -70.48 -39.78 73.99 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.559 0.743 . . . . 74.34 111.792 175.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -70.97 -29.8 65.89 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.626 0.37 . . . . 74.25 111.041 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.1 mt -64.07 -44.59 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.589 0.755 . . . . 73.52 110.095 166.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -41.1 98.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.408 1.083 . . . . 64.4 111.167 -172.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -39.56 92.4 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 118.055 0.389 . . . . 72.31 111.587 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.1 m -67.76 -48.97 64.89 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.94 0.496 . . . . 45.12 111.619 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.05 -25.52 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.398 0 C-N-CA 122.811 0.444 . . . . 73.52 111.039 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -73.24 -37.03 66.49 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 122.941 0.496 . . . . 73.42 111.924 175.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -69.92 -36.67 75.54 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.944 0.498 . . . . 75.42 111.791 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.97 -54.19 4.24 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-O 121.67 0.747 . . . . 75.34 111.83 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.664 HG21 ' HG2' ' A' ' 62' ' ' ARG . 6.3 t -110.63 -8.45 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 C-N-CA 124.4 1.08 . . . . 71.54 112.192 -169.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.11 19.67 0.12 Allowed Glycine 0 N--CA 1.478 1.445 0 N-CA-C 118.688 2.235 . . . . 54.33 118.688 -166.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -65.98 90.81 0.14 Allowed 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 118.682 1.241 . . . . 64.43 108.435 157.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.421 ' O ' ' HE3' ' A' ' 60' ' ' LYS . 8.2 t -55.57 -23.43 26.98 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.121 0.969 . . . . 75.52 113.571 -167.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.95 115.67 5.61 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.226 0.61 . . . . 74.41 110.98 169.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.2 ttt 67.17 -77.1 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 125.006 1.322 . . . . 73.01 114.276 169.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -58.16 -48.91 78.82 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.536 1.134 . . . . 71.34 113.266 -167.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.474 ' O ' HG23 ' A' ' 63' ' ' VAL . 59.1 t80 -59.75 -46.27 89.67 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.482 0.713 . . . . 75.41 112.465 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HE3' ' O ' ' A' ' 55' ' ' THR . 95.5 mttt -55.8 -46.23 78.06 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.899 0.88 . . . . 74.42 112.145 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -72.41 -33.3 67.05 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.363 0.665 . . . . 51.45 111.499 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.664 ' HG2' HG21 ' A' ' 52' ' ' VAL . 27.5 tpt180 -75.54 -26.82 58.34 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.095 0.558 . . . . 73.43 112.171 -177.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 59' ' ' TYR . 95.3 t -60.91 -40.65 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 109.689 -0.486 . . . . 71.33 109.689 170.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -65.49 -31.09 71.98 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.846 0.458 . . . . 65.22 111.482 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.1 m -60.47 -34.36 73.91 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 122.762 0.425 . . . . 65.02 111.205 174.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -73.92 -54.6 7.58 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.232 0.613 . . . . 71.34 110.751 175.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.1 mt -55.2 -57.86 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.505 1.122 . . . . 72.22 112.29 -176.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.2 t -56.02 -41.47 75.0 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.436 1.094 . . . . 72.11 112.211 -175.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -75.95 -30.01 58.51 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.521 0.728 . . . . 54.44 112.823 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.89 -46.13 72.5 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 120.8 0.333 . . . . 64.11 110.227 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -86.5 4.32 40.36 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.489 1.115 . . . . 54.42 112.139 -177.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -73.31 152.32 40.98 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.647 0.779 . . . . 74.21 112.866 -169.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.1 -21.58 39.8 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.951 0.9 . . . . 61.21 113.027 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -68.39 -37.29 80.24 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 123.01 0.524 . . . . 74.32 110.664 176.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -133.1 86.1 43.37 Favored Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 123.551 0.74 . . . . 74.35 109.316 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.22 -34.07 37.46 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.755 2.303 . . . . 52.44 111.859 176.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.98 -15.32 62.06 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.963 -1.017 . . . . 73.02 113.244 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.8 tp -56.77 -49.27 75.81 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 112.752 0.649 . . . . 60.3 112.752 -175.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -67.15 -36.83 82.68 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.839 0.456 . . . . 65.32 111.403 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -65.31 -39.89 93.07 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.946 1.298 . . . . 73.33 112.347 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.603 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 26.7 p30 -76.83 -25.78 53.58 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.294 0.637 . . . . 72.45 112.23 -176.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.3 -39.22 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-O 121.071 0.462 . . . . 74.54 110.01 172.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 24' ' ' LEU . 84.6 mt -66.08 -38.37 88.11 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.665 0.786 . . . . 71.42 112.221 176.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.603 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 17.4 p -81.63 -12.52 58.68 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 122.652 0.381 . . . . 32.44 111.752 176.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.26 17.27 69.57 Favored Glycine 0 C--N 1.352 1.451 0 N-CA-C 114.512 0.565 . . . . 72.15 114.512 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.17 -54.54 24.08 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.103 0.561 . . . . 71.24 110.394 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.5 mp -100.7 120.72 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 107.318 -1.364 . . . . 71.44 107.318 167.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.3 p -71.97 152.78 92.95 Favored Pre-proline 0 N--CA 1.482 1.166 0 C-N-CA 122.342 0.257 . . . . 54.41 111.159 -175.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -52.12 -29.82 38.48 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 123.253 2.635 . . . . 72.12 114.203 173.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -47.93 69.82 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.408 0.683 . . . . 70.22 110.016 175.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -64.09 -54.96 25.81 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.306 0.642 . . . . 72.41 111.77 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.62 -23.5 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 123.422 0.689 . . . . 74.04 112.493 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.21 -23.78 51.37 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.236 0.828 . . . . 55.23 113.236 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.1 m -110.95 -14.12 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 112.691 0.626 . . . . 55.44 112.691 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 80.9 mtp -58.73 139.98 55.44 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 123.698 0.799 . . . . 73.41 112.064 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.4 p -73.14 169.46 16.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.936 -0.478 . . . . 55.24 111.241 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.2 p -59.81 -35.5 74.83 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.803 0.441 . . . . 70.22 111.506 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.34 -39.55 81.85 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.402 0.681 . . . . 72.12 112.124 175.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.29 -41.41 96.89 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.6 0.76 . . . . 73.33 111.777 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 78.7 mtm -73.75 -16.73 61.17 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.603 0.761 . . . . 71.13 112.555 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.48 9.8 15.55 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.8 0.84 . . . . 73.12 111.664 175.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.1 t -67.4 114.82 6.39 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.739 1.014 . . . . 72.11 113.739 -171.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.1 -17.94 63.23 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 123.926 0.89 . . . . 74.34 110.745 168.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.93 -23.66 64.19 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.804 0.841 . . . . 74.44 111.565 176.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 76.5 mt -82.39 -21.13 35.97 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 112.722 0.638 . . . . 63.11 112.722 174.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -64.95 -35.71 82.04 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.685 0.794 . . . . 75.41 111.936 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.42 -25.61 54.64 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.794 0.838 . . . . 74.21 111.63 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.415 HG23 ' HB3' ' A' ' 111' ' ' ALA . 52.2 mm -76.25 120.28 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.609 0.764 . . . . 72.31 110.576 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -85.86 -75.48 0.37 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 122.768 0.427 . . . . 73.32 111.048 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -127.82 10.53 6.54 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.415 0.686 . . . . 72.4 111.872 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.415 ' HB3' HG23 ' A' ' 108' ' ' ILE . . . -72.04 90.79 1.19 Allowed 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.936 0.495 . . . . 72.54 111.152 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -132.89 -62.17 0.82 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.551 0.74 . . . . 65.41 110.173 -174.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.493 1.683 0 C-N-CA 123.992 0.917 . . . . 64.13 111.374 -177.957 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 120.556 0.217 . . . . 61.4 110.674 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -106.93 18.24 22.07 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.069 0.548 . . . . 73.41 110.952 169.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.413 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 24.8 ptp -142.99 175.05 3.1 Favored Pre-proline 0 CA--C 1.563 1.451 0 C-N-CA 124.244 1.018 . . . . 70.33 110.108 -172.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 33.9 Cg_endo -62.54 159.96 34.15 Favored 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 121.908 1.739 . . . . 53.15 112.352 169.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.473 HG11 ' HB1' ' A' ' 42' ' ' ALA . 97.4 t -57.12 116.77 14.55 Favored Pre-proline 0 CA--C 1.561 1.4 0 C-N-CA 123.126 0.57 . . . . 72.42 110.281 176.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.61 141.7 52.09 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 124.113 3.209 . . . . 74.34 114.727 -170.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.7 m -64.3 130.11 28.93 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 C-N-CA 124.473 1.109 . . . . 74.52 112.839 -174.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -86.22 122.41 30.18 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 109.225 -0.657 . . . . 63.43 109.225 169.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.6 m -60.77 -53.29 59.2 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.411 0.685 . . . . 71.34 111.644 -174.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.506 ' HB2' HG23 ' A' ' 12' ' ' VAL . 7.3 m-20 -121.44 -151.54 0.48 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.644 1.178 . . . . 72.44 108.908 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.01 12.32 11.58 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 122.77 0.428 . . . . 74.54 111.632 169.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.506 HG23 ' HB2' ' A' ' 10' ' ' ASP . 61.1 t -66.98 -61.65 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 123.757 0.823 . . . . 72.21 111.893 -178.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -72.93 -31.67 64.77 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.435 0.294 . . . . 73.42 111.183 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -63.35 -35.55 80.77 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 122.492 0.317 . . . . 73.0 111.069 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -57.77 -45.28 86.2 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.135 0.974 . . . . 75.32 111.13 172.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.812 ' SG ' HG21 ' A' ' 63' ' ' VAL . 43.0 t -61.68 -46.23 90.59 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.165 -0.925 . . . . 74.43 111.998 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -56.45 -47.98 78.01 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.569 0.748 . . . . 75.15 111.376 173.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.26 -37.44 80.42 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.17 0.588 . . . . 75.12 112.413 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 75.4 mtm -72.11 -47.05 54.12 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.868 0.467 . . . . 74.11 111.668 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 93.1 mt -60.59 -40.78 93.0 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 122.767 0.427 . . . . 74.42 111.224 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.7 m -64.89 -39.21 93.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.956 0.903 . . . . 73.24 110.901 176.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -65.4 -34.4 78.22 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.625 0.77 . . . . 52.32 111.778 175.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.581 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -65.45 -30.21 70.97 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.904 0.882 . . . . 73.42 112.01 173.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 20' ' ' LEU . 57.2 mt -79.97 -38.41 32.29 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.927 0.491 . . . . 74.33 111.782 177.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 21.2 pt20 -99.23 10.25 41.81 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.249 0.62 . . . . 71.23 112.302 -177.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 t -53.94 -42.72 69.17 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 123.669 0.788 . . . . 55.24 112.769 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -86.38 -24.49 25.75 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 124.073 0.949 . . . . 64.32 110.46 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.6 m80 68.61 6.21 5.33 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 125.88 1.672 . . . . 62.35 113.361 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.15 -26.14 68.4 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.776 0.83 . . . . 64.11 110.817 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.468 ' HD2' HD23 ' A' ' 83' ' ' LEU . 4.0 t-80 -58.68 -38.58 78.54 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 124.72 1.208 . . . . 71.21 110.756 175.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.38 -39.35 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.817 0.847 . . . . 73.33 110.407 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.04 91.78 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.22 1.008 . . . . 65.02 112.75 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 83' ' ' LEU . 51.5 mt -77.57 -24.62 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 C-N-CA 123.336 0.654 . . . . 75.01 111.193 175.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.25 22.78 36.63 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 116.764 -0.198 . . . . 73.01 113.084 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.19 125.59 29.58 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.399 0.68 . . . . 74.32 110.424 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.481 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 4.2 m-20 -78.22 97.4 5.51 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.756 0.822 . . . . 74.23 110.879 -175.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.4 p -65.29 -48.95 71.37 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 113.913 1.079 . . . . 53.24 113.913 -170.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.36 -26.19 63.61 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.129 0.418 . . . . 74.2 112.129 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -62.52 -51.36 67.72 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.645 0.778 . . . . 51.04 111.291 171.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 44.6 mt -60.48 -51.55 68.99 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.913 0.485 . . . . 73.34 110.445 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 36.7 t -57.79 -41.29 81.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.542 1.137 . . . . 34.11 112.363 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB1' HG11 ' A' ' 5' ' ' VAL . . . -60.14 -41.53 92.9 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.826 0.851 . . . . 63.54 112.305 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -77.19 -26.14 52.52 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.392 -0.822 . . . . 65.15 111.736 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 98.9 mt -69.15 -37.93 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 122.664 0.386 . . . . 74.22 110.108 170.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 41' ' ' SER . 7.3 mm-40 -55.37 -29.88 59.26 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.436 1.094 . . . . 64.34 112.955 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -66.97 -49.32 65.77 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.432 0.693 . . . . 74.25 111.55 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.42 -43.88 38.38 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.676 0.79 . . . . 64.22 112.741 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.7 tt -67.73 -27.26 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 123.319 0.648 . . . . 74.05 111.656 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 41.5 t80 -66.06 -24.24 66.69 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.111 0.964 . . . . 73.03 112.348 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -67.96 -48.24 66.39 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.107 0.563 . . . . 73.43 111.998 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -88.71 -55.66 3.62 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 121.686 0.755 . . . . 72.21 111.367 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.653 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 42.6 t -87.79 -10.43 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.067 0.947 . . . . 64.34 113.007 -170.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.51 -2.26 0.43 Allowed Glycine 0 N--CA 1.487 2.063 0 N-CA-C 116.459 1.344 . . . . 75.31 116.459 -174.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -53.15 96.37 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 123.984 0.914 . . . . 64.24 110.296 158.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.3 p -87.15 20.18 2.83 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 113.665 0.987 . . . . 73.22 113.665 -171.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.77 -81.87 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 122.796 0.438 . . . . 74.21 110.689 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.2 ttt -126.81 -39.55 1.96 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.065 0.546 . . . . 55.24 110.632 175.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.653 ' HE3' ' HA ' ' A' ' 52' ' ' VAL . 3.7 tmmm? -56.63 -36.13 69.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.757 0.823 . . . . 74.13 112.882 -170.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.556 ' HA ' HG12 ' A' ' 52' ' ' VAL . 61.9 t80 -65.82 -35.01 79.47 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 118.287 0.494 . . . . 73.1 111.877 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -44.02 49.33 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.295 1.038 . . . . 73.02 110.466 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -77.24 -30.9 54.73 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.617 1.167 . . . . 74.4 112.232 -172.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.505 ' HE ' ' HA ' ' A' ' 62' ' ' ARG . 0.8 OUTLIER -73.83 -44.05 56.88 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.915 0.486 . . . . 73.41 111.05 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.812 HG21 ' SG ' ' A' ' 16' ' ' CYS . 70.2 t -65.95 -43.22 92.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.225 -0.898 . . . . 71.31 112.574 -177.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -61.47 -33.43 73.74 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 118.572 0.624 . . . . 71.55 111.818 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.5 t -75.37 -31.28 60.46 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.697 0.799 . . . . 64.34 111.056 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.402 ' NH2' HG13 ' A' ' 92' ' ' ILE . 8.9 tpt180 -67.58 -37.24 82.32 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.702 0.801 . . . . 71.13 111.526 176.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.581 HG23 ' HB2' ' A' ' 23' ' ' ALA . 10.6 mm -52.88 -45.89 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 124.143 0.977 . . . . 54.24 112.124 176.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 97.3 p -60.73 -32.9 72.16 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.259 0.624 . . . . 51.34 112.067 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -73.35 -31.36 63.91 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.935 0.894 . . . . 75.0 112.02 175.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.567 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 88.9 mt -85.47 -8.77 58.19 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.407 0.683 . . . . 73.13 112.137 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HD2' HG22 ' A' ' 67' ' ' ILE . 19.0 ptmt -121.87 14.29 10.77 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.152 0.981 . . . . 73.41 110.751 174.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.53 123.64 20.59 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.779 0.831 . . . . 75.01 112.284 -169.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.87 1.21 50.75 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.814 0.846 . . . . 74.24 113.231 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -96.59 -51.85 4.16 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.207 0.603 . . . . 64.12 109.456 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -98.67 101.76 12.83 Favored Pre-proline 0 N--CA 1.481 1.106 0 N-CA-C 108.685 -0.857 . . . . 72.43 108.685 171.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -79.33 -26.49 4.98 Favored 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.174 1.916 . . . . 75.5 112.182 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.583 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 13.9 t70 -75.58 -30.67 59.71 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.936 0.895 . . . . 54.32 112.633 -165.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.4 tp -55.75 -55.44 32.3 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.43 0.692 . . . . 70.53 111.048 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 -75.6 -29.74 59.35 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.857 0.863 . . . . 74.32 112.788 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.583 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 36.6 ttt180 -59.01 -43.58 91.58 Favored 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 124.143 0.977 . . . . 75.14 112.252 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -70.96 -25.06 62.56 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 115.739 -0.664 . . . . 62.31 111.499 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.5 t -79.98 -26.43 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.671 0 C-N-CA 122.914 0.486 . . . . 71.32 110.933 172.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 80' ' ' ARG . 89.0 mt -65.36 -30.55 71.4 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 124.03 0.932 . . . . 71.35 111.577 173.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.7 p -102.44 -16.48 16.17 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.151 0.581 . . . . 72.03 112.011 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.4 27.55 54.74 Favored Glycine 0 CA--C 1.544 1.874 0 N-CA-C 114.075 0.39 . . . . 55.05 114.075 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.44 -8.97 59.75 Favored 'General case' 0 CA--C 1.563 1.458 0 C-N-CA 124.486 1.115 . . . . 64.04 113.645 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.4 mt -107.7 135.99 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 C-N-CA 123.275 0.63 . . . . 61.5 110.44 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.438 ' OG1' ' HB2' ' A' ' 91' ' ' GLN . 43.1 p -71.46 142.88 87.06 Favored Pre-proline 0 N--CA 1.484 1.26 0 C-N-CA 123.15 0.58 . . . . 53.13 110.625 176.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.47 -24.93 63.86 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 123.377 2.718 . . . . 73.31 114.658 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -73.63 -46.89 44.15 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.12 0.168 . . . . 74.01 110.806 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.438 ' HB2' ' OG1' ' A' ' 88' ' ' THR . 0.0 OUTLIER -58.27 -47.85 82.32 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.848 0.859 . . . . 73.44 111.208 -175.145 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.402 HG13 ' NH2' ' A' ' 66' ' ' ARG . 10.3 tp -63.37 -38.65 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.512 0 C-N-CA 122.876 0.47 . . . . 75.13 111.235 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.31 -31.39 58.16 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.273 0.842 . . . . 63.13 113.273 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.6 m -82.29 -19.58 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 112.376 0.51 . . . . 74.43 112.376 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.7 mtm -75.86 125.84 29.86 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 120.677 0.275 . . . . 64.25 111.619 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.9 p -82.92 179.29 7.81 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.189 0.996 . . . . 74.25 111.567 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -52.65 -34.42 51.4 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 123.515 0.726 . . . . 63.34 112.578 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.95 -54.43 44.89 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.591 1.156 . . . . 72.2 112.055 172.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -78.16 -29.3 48.56 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 115.609 -0.723 . . . . 72.1 112.877 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mtm -74.2 -40.3 62.58 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.253 0.621 . . . . 65.33 111.539 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.37 78.12 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.686 0.395 . . . . 72.13 111.491 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.481 ' HB3' HD23 ' A' ' 105' ' ' LEU . 50.6 m 52.47 95.22 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.905 1.282 . . . . 45.44 113.25 173.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.413 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 13.4 m-20 -59.37 -35.1 73.28 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.327 0.651 . . . . 71.32 112.212 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.22 -41.11 97.18 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.641 0.776 . . . . 70.5 111.883 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 102' ' ' SER . 3.5 mm? -81.86 -15.6 53.49 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 113.208 0.818 . . . . 53.22 113.208 177.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 103' ' ' ASP . 56.6 mtmt -78.58 -28.49 45.87 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.686 0.394 . . . . 71.11 111.7 173.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.534 ' HG3' HG12 ' A' ' 108' ' ' ILE . 11.7 pt-20 -89.2 -32.11 17.6 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.664 0.386 . . . . 64.32 110.44 172.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.534 HG12 ' HG3' ' A' ' 107' ' ' GLU . 37.3 mm -105.04 74.32 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.976 0.91 . . . . 74.14 109.429 176.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -85.57 90.89 8.1 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.743 -0.662 . . . . 73.41 109.413 176.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.6 mptt 67.63 -66.4 0.21 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 125.646 1.578 . . . . 71.33 111.791 -166.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 76.29 -54.39 0.6 Allowed 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 126.141 1.776 . . . . 62.33 112.513 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 86.9 mtp -71.65 101.32 2.5 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.586 0.754 . . . . 55.02 111.622 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.492 1.666 0 C-N-CA 125.068 1.347 . . . . 63.33 112.237 177.813 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 1.377 0 N-CA-C 113.816 1.043 . . . . 74.45 113.816 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -81.57 -60.89 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 118.408 0.549 . . . . 40.03 110.332 168.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -66.99 -44.02 81.47 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.097 0.559 . . . . 72.45 112.233 -172.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -65.76 -33.69 76.45 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.84 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 84.7 tttt -68.38 -43.36 77.5 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.354 0.662 . . . . 50.32 111.168 176.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.4 m -62.18 -44.54 96.36 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.143 0.577 . . . . 63.05 111.343 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.96 -46.44 89.26 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.494 1.117 . . . . 75.15 111.146 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.488 ' HG2' ' HA ' ' A' ' 15' ' ' LYS . 7.6 pt-20 -72.01 -30.59 65.37 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 112.257 0.466 . . . . 72.42 112.257 -177.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.456 ' HB3' HD11 ' A' ' 67' ' ' ILE . 67.8 mtm -71.46 -33.2 69.12 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.697 0.399 . . . . 74.41 111.473 175.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.57 -36.05 80.18 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 122.583 0.353 . . . . 72.15 110.716 170.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -63.76 -42.97 97.71 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.212 0.605 . . . . 72.42 110.607 172.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.53 -30.78 70.52 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.362 1.065 . . . . 74.32 111.647 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -63.93 -31.52 72.73 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.666 0.786 . . . . 34.12 111.788 171.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -86.34 -26.88 24.63 Favored 'General case' 0 CA--C 1.56 1.354 0 CA-C-N 115.319 -0.855 . . . . 51.44 112.171 174.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -89.96 -19.2 24.78 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 113.117 0.784 . . . . 73.54 113.117 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.444 HG21 ' HE2' ' A' ' 71' ' ' LYS . 12.9 t -59.93 -19.72 53.41 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.333 0.653 . . . . 63.14 112.089 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -137.43 150.67 47.8 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.682 1.193 . . . . 70.2 108.656 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -85.55 27.07 0.86 Allowed 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.321 0.648 . . . . 71.1 112.053 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -57.48 -46.21 83.98 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.762 1.225 . . . . 71.53 111.677 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -63.53 -25.58 68.32 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 115.27 -0.877 . . . . 53.44 112.083 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -73.39 -42.17 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.369 0.668 . . . . 73.15 110.614 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.57 97.64 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.441 0.696 . . . . 62.23 111.675 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.666 HD11 ' HD3' ' A' ' 80' ' ' ARG . 62.0 mt -76.45 -23.09 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 C-N-CA 123.605 0.762 . . . . 62.13 111.281 174.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.42 26.29 61.68 Favored Glycine 0 CA--C 1.536 1.404 0 CA-C-N 116.492 -0.322 . . . . 54.31 113.796 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -102.47 130.56 49.3 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.153 0.981 . . . . 75.33 111.08 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -79.02 111.81 15.6 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 121.132 0.492 . . . . 73.11 111.071 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.7 p -69.52 -30.6 68.48 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 114.23 1.196 . . . . 54.05 114.23 -168.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -31.11 71.67 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 113.558 0.947 . . . . 65.11 113.558 -173.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -82.45 -38.41 24.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.063 0.545 . . . . 64.12 110.984 174.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.58 HD11 ' HB1' ' A' ' 35' ' ' ALA . 93.4 mt -60.43 -43.2 97.01 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.708 0.803 . . . . 63.14 111.814 -176.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.4 p -57.39 -46.66 83.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.0 0.92 . . . . 72.42 111.382 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.36 -31.71 71.3 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.367 1.067 . . . . 53.43 112.72 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -67.92 -45.12 75.25 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.256 0.622 . . . . 73.54 111.152 175.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.2 -37.39 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.006 0.522 . . . . 52.22 110.322 173.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.39 -47.08 85.72 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 124.341 1.056 . . . . 75.42 110.763 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.77 -34.63 77.18 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 118.194 0.452 . . . . 64.14 111.711 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.4 m -65.48 -41.5 93.25 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.396 0.678 . . . . 74.44 111.999 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.0 tt -83.49 -25.39 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.445 0 C-N-CA 122.677 0.391 . . . . 74.43 111.155 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -61.2 -27.16 68.22 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 124.713 1.205 . . . . 64.23 112.376 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -60.0 -43.6 95.1 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.149 0.58 . . . . 60.41 111.38 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -90.8 -55.76 3.44 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.757 0.789 . . . . 73.45 111.626 173.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.565 HG12 ' HD1' ' A' ' 59' ' ' TYR . 76.8 t -81.99 -19.47 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 N-CA-C 113.81 1.041 . . . . 73.13 113.81 -167.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.67 -11.42 10.49 Favored Glycine 0 N--CA 1.48 1.632 0 N-CA-C 116.778 1.471 . . . . 44.05 116.778 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.481 HD21 ' HD2' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -66.08 110.77 3.08 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 121.353 0.596 . . . . 62.25 110.332 169.185 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.7 p -79.33 14.2 1.63 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 114.163 1.172 . . . . 42.43 114.163 -166.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.95 -50.2 37.13 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.035 0.934 . . . . 70.14 112.631 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.5 -67.03 0.33 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.498 0.319 . . . . 73.5 111.594 -177.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.481 ' HD2' HD21 ' A' ' 54' ' ' ASN . 18.0 ptpt -60.72 -34.13 73.95 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.322 0.86 . . . . 73.54 113.322 -170.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.565 ' HD1' HG12 ' A' ' 52' ' ' VAL . 23.4 t80 -62.0 -31.71 72.11 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 118.421 0.555 . . . . 71.32 112.202 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -71.94 -48.98 41.41 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 122.92 0.488 . . . . 74.43 111.558 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -76.42 -45.0 33.46 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.438 0.695 . . . . 73.22 112.655 -173.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -57.13 -40.57 77.41 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.027 0.931 . . . . 72.03 112.786 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 67' ' ' ILE . 77.2 t -62.97 -45.0 99.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 123.65 0.594 . . . . 54.3 110.878 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -58.78 -47.54 84.34 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.246 0.546 . . . . 63.25 111.191 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.7 t -63.93 -35.4 80.54 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.154 0.981 . . . . 61.23 112.172 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -68.46 -45.72 71.69 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.01 0.924 . . . . 64.24 110.837 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 23' ' ' ALA . 93.7 mt -53.14 -44.98 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 124.586 1.154 . . . . 70.43 110.941 175.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.6 t -57.15 -49.1 76.98 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.289 -0.869 . . . . 74.34 111.817 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -65.74 -29.83 70.41 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.839 0.856 . . . . 73.33 112.755 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.435 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 89.9 mt -76.26 -19.16 58.58 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.872 0.693 . . . . 73.41 112.872 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HE2' HG21 ' A' ' 26' ' ' THR . 19.3 ptpt -121.37 8.28 10.21 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.3 0.64 . . . . 74.01 112.569 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.81 141.14 51.36 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 113.136 0.791 . . . . 74.31 113.136 -169.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.13 -22.34 24.15 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.651 0.78 . . . . 70.41 112.923 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.81 -23.12 39.44 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.95 0.5 . . . . 45.45 110.818 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.47 ' ND2' ' HB2' ' A' ' 78' ' ' LEU . 64.3 t30 -138.35 75.86 38.56 Favored Pre-proline 0 CA--C 1.562 1.424 0 C-N-CA 122.754 0.421 . . . . 63.32 110.625 169.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -80.31 -15.86 11.15 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.862 2.375 . . . . 62.11 113.627 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.66 -17.35 57.8 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 122.852 0.461 . . . . 71.34 111.93 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HB2' ' ND2' ' A' ' 75' ' ' ASN . 42.1 tp -55.69 -51.34 67.6 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.792 0.437 . . . . 60.35 111.798 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -60.67 -38.04 83.6 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 115.877 -0.601 . . . . 73.12 111.544 174.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.666 ' HD3' HD11 ' A' ' 33' ' ' ILE . 9.9 mmt85 -56.07 -46.85 78.84 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.662 0.785 . . . . 62.11 111.839 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -62.47 -39.81 94.61 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.329 0.652 . . . . 65.4 111.968 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.5 t -71.21 -49.51 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 C-N-CA 122.728 0.411 . . . . 75.25 111.543 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 70.6 mt -62.79 -39.11 93.22 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.469 1.108 . . . . 72.03 112.282 -177.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 p -83.49 -5.02 59.04 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.027 0.531 . . . . 51.15 112.392 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.61 16.83 78.66 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 114.73 0.652 . . . . 73.44 114.73 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.66 -46.94 74.06 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.327 0.651 . . . . 74.23 110.847 174.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 57.0 mt -108.9 119.71 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 108.353 -0.98 . . . . 72.32 108.353 169.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 74.9 p -73.41 149.81 89.03 Favored Pre-proline 0 N--CA 1.484 1.236 0 C-N-CA 122.923 0.489 . . . . 75.13 111.83 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -42.91 -38.82 7.24 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 124.407 3.404 . . . . 43.33 115.311 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.99 -47.35 83.49 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.629 0.771 . . . . 74.11 111.895 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -39.51 61.75 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.65 0.78 . . . . 62.1 112.357 -175.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 tp -72.06 -27.82 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 120.86 0.362 . . . . 42.12 111.332 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.32 -46.29 50.29 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.089 0.556 . . . . 72.54 111.606 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.9 m -77.02 -16.28 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 122.9 0.48 . . . . 74.31 112.067 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.534 ' SD ' ' HG2' ' A' ' 100' ' ' MET . 41.4 ttm -67.88 136.41 54.0 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.821 0.449 . . . . 51.31 110.016 171.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.1 p -75.0 155.01 37.8 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.567 0.347 . . . . 72.51 111.184 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -57.32 -32.55 66.81 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.915 0.886 . . . . 75.44 112.575 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -59.43 -51.38 70.15 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.846 0.859 . . . . 75.53 111.416 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.58 -36.99 79.49 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.543 -0.753 . . . . 73.51 111.589 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.534 ' HG2' ' SD ' ' A' ' 95' ' ' MET . 41.5 mtm . . . . . 0 N--CA 1.484 1.267 0 C-N-CA 122.805 0.442 . . . . 73.41 110.851 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.256 0 N-CA-C 112.45 0.537 . . . . 53.53 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.2 t -53.53 -61.05 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 124.054 0.942 . . . . 64.32 111.792 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.427 HH21 ' HG3' ' A' ' 45' ' ' GLU . 53.1 ttt180 -72.56 -34.68 67.65 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.908 0.483 . . . . 75.13 111.314 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.48 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 22.5 t-20 -60.75 -48.53 81.37 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.096 0.558 . . . . 74.01 111.506 -177.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -57.78 -35.73 71.19 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.736 0.814 . . . . 72.13 111.748 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.4 m -59.87 -53.24 60.26 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.381 0.672 . . . . 75.11 110.993 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -55.34 -43.24 74.78 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.194 0.998 . . . . 62.12 111.954 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 13.3 mm-40 -60.82 -47.22 87.33 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.861 0.864 . . . . 71.21 112.429 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.4 mtm -70.53 -30.98 67.87 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.404 0.682 . . . . 64.45 111.976 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.73 -42.2 91.33 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.929 0.491 . . . . 74.42 111.081 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -66.4 -39.94 89.33 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.034 0.533 . . . . 74.31 110.949 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.8 78.43 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.984 0.914 . . . . 70.35 111.62 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.432 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -65.6 -39.06 91.14 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.531 0.732 . . . . 65.33 111.238 173.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.6 mt -74.26 -15.82 60.97 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.386 0.675 . . . . 74.11 112.329 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -115.98 14.41 16.11 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.043 0.937 . . . . 75.32 112.569 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 t -62.89 -40.85 98.81 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.593 0.59 . . . . 51.42 112.593 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -109.94 8.39 24.21 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.351 0.66 . . . . 73.1 110.753 169.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.4 m80 59.05 36.69 24.38 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.178 1.391 . . . . 74.43 111.487 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.91 -32.76 69.84 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.0 1.32 . . . . 61.1 113.105 -171.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -63.31 -23.96 67.65 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.322 0.649 . . . . 60.33 112.235 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.31 -51.81 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.678 0.791 . . . . 74.32 111.29 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.96 -33.91 69.37 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.657 0.783 . . . . 74.03 112.387 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.509 HG21 ' HA ' ' A' ' 84' ' ' CYS . 59.5 mt -84.09 -32.56 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 C-N-CA 123.415 0.686 . . . . 61.12 111.283 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.52 28.63 29.3 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 114.238 0.455 . . . . 34.31 114.238 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.69 147.07 37.56 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.806 0.842 . . . . 63.41 110.898 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -83.2 114.88 21.66 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.638 0.375 . . . . 73.53 110.48 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.0 p -73.43 -26.44 60.95 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.781 0.832 . . . . 63.1 112.893 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.94 -40.88 78.71 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.864 0.866 . . . . 60.43 112.132 -171.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -66.53 -34.25 77.48 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 115.683 -0.689 . . . . 72.43 111.246 174.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.78 -43.44 68.72 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.373 0.669 . . . . 65.44 111.336 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.3 p -65.81 -30.44 71.07 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.064 0.946 . . . . 64.11 111.87 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.58 -35.32 77.21 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.411 0.685 . . . . 74.24 111.582 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -74.69 -32.41 62.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.112 0.565 . . . . 70.45 111.624 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.95 -43.73 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 109.535 -0.542 . . . . 73.2 109.535 170.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG3' HH21 ' A' ' 13' ' ' ARG . 11.2 tp10 -57.87 -50.37 73.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.628 1.171 . . . . 72.34 111.788 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.96 -40.13 96.75 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 111.967 0.358 . . . . 75.11 111.967 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.7 m -65.9 -42.73 89.83 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.233 0.613 . . . . 73.03 112.482 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.2 tt -73.78 -32.44 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.418 0 C-N-CA 122.425 0.29 . . . . 71.2 110.825 175.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.65 -25.93 68.17 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.131 0.972 . . . . 71.42 113.133 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -56.59 -66.12 0.49 Allowed 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.048 0.539 . . . . 73.33 111.676 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -90.41 -44.17 9.81 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.637 0.775 . . . . 51.11 112.182 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.2 t -92.24 -12.81 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 123.691 0.796 . . . . 70.01 112.232 -168.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.7 30.34 1.05 Allowed Glycine 0 CA--C 1.549 2.182 0 N-CA-C 116.24 1.256 . . . . 64.52 116.24 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -77.53 -5.98 52.0 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.701 1.2 . . . . 74.5 111.989 169.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.4 p 64.98 24.49 12.65 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 126.313 1.845 . . . . 73.45 113.491 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.22 168.49 18.14 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 123.83 0.852 . . . . 74.43 110.309 170.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.1 ptm -55.39 -26.02 38.98 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.595 0.758 . . . . 75.23 112.581 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -55.63 -50.68 69.53 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.315 0.646 . . . . 72.42 110.98 171.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -65.62 -46.09 80.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.209 1.004 . . . . 74.23 112.025 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -60.9 -51.36 69.59 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.449 0.7 . . . . 74.31 111.763 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -73.26 -27.35 61.52 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.556 -0.747 . . . . 74.31 111.879 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 1.3 tpm_? -68.26 -44.71 75.01 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 117.686 0.221 . . . . 71.42 110.43 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.4 -48.74 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.359 0.664 . . . . 74.12 110.417 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HA ' HD12 ' A' ' 67' ' ' ILE . 47.8 mtm-85 -62.61 -34.19 76.52 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.059 0.544 . . . . 63.4 112.072 177.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.7 t -65.87 -42.51 90.25 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.268 0.627 . . . . 51.42 110.94 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.585 ' NH1' ' SD ' ' A' ' 100' ' ' MET . 33.6 mmt180 -54.89 -55.36 31.39 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.074 0.55 . . . . 52.14 109.625 175.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 64' ' ' ARG . 57.4 mt -52.45 -45.97 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 C-N-CA 124.593 1.157 . . . . 71.31 111.723 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 t -61.68 -42.51 99.02 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.947 0.899 . . . . 70.14 111.9 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -72.61 -34.33 67.3 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.279 0.632 . . . . 63.53 111.607 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 66' ' ' ARG . 96.0 mt -64.01 -41.08 97.59 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.599 0.76 . . . . 63.42 111.167 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -101.77 13.93 33.44 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.522 0.729 . . . . 63.22 112.34 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.0 145.2 56.66 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.267 0.627 . . . . 73.54 112.321 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.11 79.58 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.471 0.708 . . . . 74.32 112.379 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -11.51 32.09 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.369 0.668 . . . . 63.15 111.466 -178.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -139.79 60.82 16.66 Favored Pre-proline 0 CA--C 1.576 1.974 0 C-N-CA 124.221 1.008 . . . . 71.51 111.114 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -75.95 -33.06 3.93 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 122.448 2.099 . . . . 51.34 113.421 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -73.02 -14.64 61.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.424 1.09 . . . . 61.0 112.735 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 100' ' ' MET . 53.7 tp -52.51 -46.65 66.74 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.966 0.906 . . . . 64.13 112.732 -174.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.405 ' HB3' ' HB3' ' A' ' 70' ' ' LEU . 34.3 ptt-85 -67.66 -37.58 82.58 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.35 0.66 . . . . 63.33 111.743 173.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -71.88 -27.69 63.02 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.602 1.161 . . . . 62.11 111.243 -172.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.75 -34.78 77.51 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.844 0.857 . . . . 73.12 110.831 174.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.3 t -67.41 -43.25 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 CA-C-O 121.433 0.635 . . . . 51.11 110.024 172.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.13 -24.84 64.15 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.27 1.028 . . . . 73.13 112.255 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.509 ' HA ' HG21 ' A' ' 33' ' ' ILE . 38.9 t -85.03 -10.0 57.42 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.865 0.866 . . . . 70.22 111.797 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.12 18.85 62.04 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.522 -0.308 . . . . 74.24 113.789 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.3 -58.67 2.5 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.585 0.754 . . . . 65.13 110.778 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.5 mt -91.51 132.46 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.506 0.723 . . . . 64.02 109.636 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.7 p -82.87 150.94 63.17 Favored Pre-proline 0 N--CA 1.487 1.414 0 CA-C-N 117.569 0.168 . . . . 54.43 110.873 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -48.05 -36.59 28.41 Favored 'Trans proline' 0 C--N 1.379 2.158 0 C-N-CA 123.611 2.874 . . . . 74.04 115.345 174.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -70.7 -40.43 72.86 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 119.147 -0.454 . . . . 73.3 111.552 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -56.97 -53.2 60.75 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 122.917 0.487 . . . . 71.4 111.225 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.7 tp -67.5 -22.97 29.26 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.686 0 CA-C-N 115.954 -0.566 . . . . 74.41 111.69 -177.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.31 -32.59 26.26 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.879 0.871 . . . . 63.55 113.264 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.17 -34.96 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 112.367 0.506 . . . . 63.31 112.367 -175.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.3 mtm -66.87 145.09 55.84 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 122.553 0.341 . . . . 54.15 110.993 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.9 p -73.76 158.96 33.66 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.574 0.349 . . . . 63.52 110.373 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.2 t -57.64 -30.82 65.7 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.28 0.632 . . . . 72.33 111.682 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -64.57 -40.7 96.02 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.971 0.909 . . . . 72.23 111.771 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.11 -30.35 58.22 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.541 0.736 . . . . 74.13 111.931 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.585 ' SD ' ' NH1' ' A' ' 66' ' ' ARG . 82.5 mtp . . . . . 0 N--CA 1.483 1.215 0 C-N-CA 124.029 0.931 . . . . 74.11 111.286 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.285 0 N-CA-C 114.836 1.421 . . . . 53.35 114.836 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -62.32 -47.12 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 124.217 1.007 . . . . 43.45 111.657 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.449 HH22 ' CD ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -70.93 -29.49 65.54 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.218 -0.901 . . . . 72.34 112.157 -178.482 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.59 -38.27 90.43 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.718 0.407 . . . . 74.31 110.414 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -63.48 -44.17 95.17 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.644 0.59 . . . . 73.11 111.145 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.8 t -57.09 -49.99 74.18 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.748 0.419 . . . . 71.2 111.335 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -59.63 -50.56 73.41 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.977 0.911 . . . . 74.31 112.27 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.4 -33.25 74.79 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 112.439 0.533 . . . . 64.02 112.439 -175.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.461 ' HB3' HD13 ' A' ' 67' ' ' ILE . 51.3 mtm -75.25 -38.89 60.32 Favored 'General case' 0 CA--C 1.562 1.417 0 N-CA-C 112.663 0.616 . . . . 75.21 112.663 177.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.61 -37.55 87.77 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 123.074 0.55 . . . . 71.24 110.416 171.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.0 m -64.64 -42.02 95.73 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.002 0.921 . . . . 75.14 110.814 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.91 -30.84 71.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.928 0.891 . . . . 62.44 111.77 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.541 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -64.34 -41.45 96.77 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.068 0.547 . . . . 71.13 110.94 171.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -76.38 -8.85 57.99 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.469 0.708 . . . . 71.24 112.377 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -115.1 -7.46 12.47 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 124.18 0.992 . . . . 74.13 112.952 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 t -65.11 -29.32 70.17 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 112.778 0.659 . . . . 65.22 112.778 -169.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -108.85 -3.39 17.7 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.167 0.987 . . . . 62.32 110.543 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.4 m80 62.28 25.57 15.29 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 124.672 1.189 . . . . 73.21 110.291 -163.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -59.81 -39.08 83.82 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.889 1.676 . . . . 64.34 112.86 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -67.62 -32.32 72.96 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 112.012 0.375 . . . . 72.0 112.012 176.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -69.06 -43.22 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 C-N-CA 123.329 0.652 . . . . 63.24 110.68 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.75 -31.07 69.85 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.243 -0.89 . . . . 64.43 112.316 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.4 mt -85.68 -28.48 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.164 0.586 . . . . 73.32 111.803 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.32 56.13 3.08 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-O 120.921 0.178 . . . . 74.13 112.968 -175.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.61 136.32 50.52 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.138 0.975 . . . . 52.22 111.408 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 7.1 m-20 -74.58 92.3 2.39 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.375 0.67 . . . . 51.51 110.303 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.9 p -63.05 -52.06 64.29 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.095 1.146 . . . . 54.24 114.095 -166.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.38 -25.45 66.79 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 111.858 0.318 . . . . 61.12 111.858 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -74.24 -43.42 57.11 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.437 1.095 . . . . 63.14 111.614 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 42.6 mt -66.14 -51.16 60.48 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.754 -0.462 . . . . 55.21 109.754 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -58.1 -30.78 66.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.871 1.268 . . . . 74.15 112.574 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 46' ' ' GLU . . . -65.11 -57.32 8.9 Favored 'General case' 0 C--O 1.209 -1.069 0 N-CA-C 109.638 -0.505 . . . . 44.34 109.638 171.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.486 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . 46.5 mt-30 -57.44 -25.6 59.91 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 123.526 0.73 . . . . 73.32 112.699 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.422 HG23 ' HA ' ' A' ' 93' ' ' ALA . 90.8 mt -74.67 -49.04 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.379 0 C-N-CA 123.974 0.91 . . . . 75.23 111.047 168.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -67.18 -47.23 71.58 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.489 0.716 . . . . 74.42 111.859 -171.697 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' CD ' HH22 ' A' ' 13' ' ' ARG . 3.1 mm-40 -52.66 -34.76 53.07 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.113 0.565 . . . . 54.54 111.061 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.9 m -77.17 -50.28 13.31 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.45 0.7 . . . . 53.4 112.756 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 45' ' ' GLU . 12.5 tt -66.79 -25.78 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 122.065 -0.397 . . . . 72.51 111.042 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.675 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 62.0 t80 -70.22 -27.81 64.77 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.699 0.799 . . . . 71.43 111.476 175.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -71.43 -54.8 9.47 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.466 0.306 . . . . 73.43 110.993 173.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.37 -56.6 4.84 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.969 0.729 . . . . 45.42 112.969 -173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.76 -21.4 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 C-N-CA 123.126 0.57 . . . . 75.23 111.704 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.675 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -76.41 33.01 1.36 Allowed Glycine 0 N--CA 1.476 1.318 0 N-CA-C 116.561 1.384 . . . . 41.52 116.561 -169.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -73.92 3.07 7.27 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 123.312 0.645 . . . . 62.24 111.727 170.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p 58.47 24.25 11.61 Favored 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 126.172 1.789 . . . . 61.05 113.339 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -73.96 -58.02 3.58 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 123.909 0.884 . . . . 71.45 112.69 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.3 ttm -172.59 -61.9 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.033 0.933 . . . . 73.42 110.394 -175.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -57.05 -31.8 65.55 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.006 0.922 . . . . 75.31 112.664 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.8 t80 -53.49 -54.39 37.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.443 1.097 . . . . 74.01 112.094 176.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.46 -35.97 82.64 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.942 -0.572 . . . . 74.52 112.011 -175.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -75.26 -33.22 61.26 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.098 0.559 . . . . 63.51 111.896 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -61.06 -46.23 91.52 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.257 0.623 . . . . 75.44 110.853 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 59' ' ' TYR . 53.9 t -63.23 -49.45 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 O-C-N 123.971 0.794 . . . . 63.21 110.921 178.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -51.17 -50.34 59.18 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 123.928 0.891 . . . . 61.33 112.497 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.7 t -69.91 -35.42 74.57 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.964 -0.562 . . . . 30.32 111.995 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -64.52 -48.35 75.44 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.068 0.547 . . . . 73.3 111.069 -175.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.68 HG22 ' HE3' ' A' ' 71' ' ' LYS . 58.8 mt -58.78 -41.72 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.67 1.188 . . . . 53.32 111.14 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -63.6 -35.79 81.66 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 115.706 -0.679 . . . . 72.2 111.725 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -75.49 -29.68 59.63 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.789 0.835 . . . . 62.4 111.785 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.69 -54.47 19.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.245 0.618 . . . . 72.24 110.781 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.68 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.8 ptpt -80.36 4.77 16.83 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.721 0.808 . . . . 72.43 112.381 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.63 129.62 40.5 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.89 0.876 . . . . 73.05 111.733 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.82 -23.36 59.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.497 0.719 . . . . 74.22 112.002 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -76.33 -30.9 57.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.123 0.569 . . . . 72.24 111.348 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -140.73 77.72 21.72 Favored Pre-proline 0 CA--C 1.562 1.442 0 C-N-CA 123.216 0.606 . . . . 72.31 111.127 173.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -83.4 -13.81 8.43 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.619 2.212 . . . . 74.51 112.841 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.51 -24.2 65.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.326 1.05 . . . . 72.05 112.468 174.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.43 HD21 ' SD ' ' A' ' 100' ' ' MET . 38.0 tp -54.26 -41.8 69.21 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.364 0.666 . . . . 73.51 111.455 175.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -73.78 -49.18 26.63 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.017 0.527 . . . . 74.34 111.662 171.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -56.87 -39.6 74.62 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.382 0.882 . . . . 65.01 113.382 -171.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -68.28 -33.92 75.22 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.898 0.479 . . . . 75.34 112.053 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.4 t -75.31 -41.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-O 121.115 0.483 . . . . 65.44 110.854 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.459 HD23 HD12 ' A' ' 40' ' ' LEU . 86.7 mt -66.78 -35.16 79.44 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.994 0.918 . . . . 63.31 112.134 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.5 m -81.57 -6.02 58.58 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.467 0.707 . . . . 75.13 112.275 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.76 21.47 68.7 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 114.499 0.56 . . . . 62.31 114.499 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.92 -61.17 1.97 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.673 0.789 . . . . 52.23 111.093 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 55.9 mt -84.95 119.45 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 109.215 -0.661 . . . . 75.12 109.215 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.5 p -74.82 146.44 82.93 Favored Pre-proline 0 CA--C 1.558 1.276 0 CA-C-O 119.301 -0.381 . . . . 43.04 111.351 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.486 ' HB3' ' HB3' ' A' ' 43' ' ' GLN . 11.6 Cg_exo -39.01 -42.87 2.17 Favored 'Trans proline' 0 C--N 1.385 2.473 0 C-N-CA 125.214 3.942 . . . . 75.42 116.95 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -46.91 72.98 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.988 0.515 . . . . 74.12 110.193 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -62.12 -52.98 61.7 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.805 0.842 . . . . 64.42 111.88 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.6 tp -61.08 -43.41 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 122.937 0.495 . . . . 74.23 111.843 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HA ' HG23 ' A' ' 44' ' ' ILE . . . -54.26 -45.96 72.53 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.432 0.693 . . . . 74.22 112.801 -176.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 m -97.02 -3.31 10.13 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 113.16 0.8 . . . . 72.4 113.16 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 40.1 ttp -68.69 129.81 41.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.819 0.448 . . . . 62.0 111.863 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.1 p -78.87 163.58 25.18 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.742 0.817 . . . . 74.32 112.219 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.1 p -59.51 -29.28 67.75 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 123.758 0.823 . . . . 61.44 112.297 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -62.44 -50.7 70.43 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.342 1.057 . . . . 75.13 110.975 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -72.99 -31.73 64.7 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 114.721 -1.127 . . . . 60.45 112.67 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.43 ' SD ' HD21 ' A' ' 78' ' ' LEU . 66.7 mtm . . . . . 0 N--CA 1.484 1.255 0 C-N-CA 122.754 0.422 . . . . 61.44 111.544 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 14' ' ' ASN . . . . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 113.796 1.035 . . . . 54.25 113.796 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.3 t -57.77 -61.33 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.916 0.486 . . . . 72.54 111.005 173.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -34.41 68.72 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.314 -0.403 . . . . 74.22 111.192 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.7 t-20 -55.98 -50.82 69.75 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.768 0.427 . . . . 71.34 111.511 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.39 -33.24 75.49 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 123.509 0.506 . . . . 75.42 111.795 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.2 m -64.15 -41.14 97.3 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.802 0.441 . . . . 45.4 111.613 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -59.05 -45.35 90.97 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.277 0.631 . . . . 61.21 110.876 171.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 25.0 mm-40 -61.0 -34.41 74.76 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.807 0.443 . . . . 72.1 111.98 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.4 mtm -75.69 -30.85 59.49 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.0 0.52 . . . . 70.41 112.187 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.09 -38.2 85.29 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.882 0.473 . . . . 73.53 110.38 171.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 m -64.26 -42.05 96.65 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.822 0.849 . . . . 61.44 110.353 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.0 71.64 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.909 0.884 . . . . 75.21 112.041 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -69.99 -43.53 71.27 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.467 0.707 . . . . 74.34 111.091 171.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 95.7 mt -77.08 -9.29 58.63 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 113.284 0.846 . . . . 70.24 113.284 -178.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -122.61 18.3 10.39 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.502 0.721 . . . . 75.45 111.148 175.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 t -58.17 -26.66 63.02 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 123.794 0.837 . . . . 73.54 113.155 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -127.02 9.57 6.85 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.51 0.724 . . . . 64.15 110.563 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 m80 57.35 23.23 8.66 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.203 1.001 . . . . 74.34 110.921 -166.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.64 -24.48 66.75 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.157 1.783 . . . . 74.04 114.238 -169.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -57.78 -27.89 63.49 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.376 0.67 . . . . 73.34 112.564 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -66.65 -38.66 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 C-N-CA 123.955 0.902 . . . . 75.2 111.732 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.78 -31.25 68.22 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.089 0.955 . . . . 75.13 112.897 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.468 HD13 ' SG ' ' A' ' 84' ' ' CYS . 67.4 mt -101.04 -23.62 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 123.99 0.916 . . . . 62.35 110.956 178.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.72 27.63 41.52 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-N 116.344 -0.389 . . . . 73.21 113.766 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.06 151.25 21.1 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.965 0.906 . . . . 75.31 112.661 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -90.11 88.57 7.32 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.76 0.824 . . . . 73.15 109.753 174.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 26.7 p -68.91 -38.73 79.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.976 0.91 . . . . 61.4 113.435 -170.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -33.47 75.26 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 122.59 0.356 . . . . 74.52 111.625 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -68.27 -42.68 79.23 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.537 0.735 . . . . 75.43 109.696 174.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 44' ' ' ILE . 96.3 mt -58.3 -45.97 87.0 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.915 0.486 . . . . 74.32 111.106 174.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -56.41 -41.01 75.62 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.269 1.028 . . . . 73.43 112.509 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -47.11 87.44 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.851 -0.613 . . . . 71.32 111.409 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -63.85 -44.92 91.71 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.593 0.757 . . . . 75.3 112.271 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 40' ' ' LEU . 85.2 mt -60.38 -50.92 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.111 0.964 . . . . 74.02 110.66 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -62.58 -48.46 79.38 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.843 -0.617 . . . . 64.4 111.498 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -62.67 -31.76 72.7 Favored 'General case' 0 CA--C 1.556 1.178 0 N-CA-C 113.216 0.821 . . . . 73.2 113.216 -176.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.8 m -62.03 -50.04 73.59 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.814 0.446 . . . . 64.12 112.104 172.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.638 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 10.3 tt -77.56 -25.17 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 C-N-CA 123.101 0.56 . . . . 71.12 111.572 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -62.21 -30.75 71.3 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.401 1.08 . . . . 73.34 112.63 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -57.54 -50.02 74.44 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 123.624 0.77 . . . . 74.35 111.984 -174.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -90.02 -55.51 3.59 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.562 0.696 . . . . 72.31 112.268 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.493 HG13 ' HE2' ' A' ' 58' ' ' LYS . 77.0 t -79.71 -25.26 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 124.072 0.949 . . . . 73.24 112.891 -167.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.18 24.28 1.11 Allowed Glycine 0 CA--C 1.545 1.95 0 N-CA-C 115.751 1.061 . . . . 61.23 115.751 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.522 HD21 ' HD3' ' A' ' 58' ' ' LYS . 25.8 p30 -66.31 -17.21 64.62 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.059 1.344 . . . . 64.22 112.063 166.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p 60.71 20.3 10.33 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 126.062 1.745 . . . . 74.44 114.224 172.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -66.35 -66.64 0.53 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.761 0.424 . . . . 74.32 111.328 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -153.14 -42.37 0.1 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 122.935 0.494 . . . . 73.32 111.487 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.541 ' O ' ' HG2' ' A' ' 62' ' ' ARG . 21.4 ptmt -52.83 -46.31 67.71 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.478 0.711 . . . . 53.31 112.198 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 87.2 t80 -56.68 -45.26 81.83 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.071 0.948 . . . . 73.21 112.534 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.529 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 10.7 mmpt? -55.73 -44.97 78.01 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.68 0.792 . . . . 74.04 111.654 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -69.58 -39.72 77.14 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.805 -0.634 . . . . 71.2 111.652 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 24.4 mmt85 -66.71 -33.86 76.58 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 122.782 0.433 . . . . 71.24 111.737 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 59' ' ' TYR . 81.0 t -64.16 -48.77 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.189 0.596 . . . . 63.11 110.733 174.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -58.53 -45.17 89.42 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.704 0.401 . . . . 73.5 111.229 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.3 m -62.99 -38.63 91.95 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.964 0.905 . . . . 74.32 111.746 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -67.88 -52.83 32.0 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.655 0.382 . . . . 75.34 110.711 -178.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.469 HG23 ' HB2' ' A' ' 23' ' ' ALA . 93.8 mt -54.69 -43.43 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 124.504 1.122 . . . . 70.21 111.392 175.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.7 t -57.58 -49.75 75.39 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.003 0.921 . . . . 72.1 111.903 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 13.4 m120 -67.68 -31.85 72.1 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.193 0.597 . . . . 73.42 112.225 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.97 -40.72 91.5 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.013 0.525 . . . . 53.04 111.511 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 18.8 ptpt -102.31 14.91 30.7 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 123.4 0.68 . . . . 75.15 112.098 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.464 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 27.1 t70 -65.31 141.06 58.72 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.641 0.776 . . . . 74.25 112.514 -173.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.88 -19.16 27.74 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.432 0.693 . . . . 73.44 112.353 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -88.91 -23.17 22.79 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.007 0.523 . . . . 64.21 111.325 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.536 HD22 ' HB2' ' A' ' 78' ' ' LEU . 5.2 t30 -143.92 73.21 16.7 Favored Pre-proline 0 CA--C 1.569 1.684 0 C-N-CA 123.291 0.636 . . . . 65.34 109.619 174.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.27 -26.25 9.15 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 123.615 2.877 . . . . 72.42 114.171 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -66.01 -18.15 65.15 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.059 0.944 . . . . 71.23 113.198 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.536 ' HB2' HD22 ' A' ' 75' ' ' ASN . 22.7 tp -52.34 -52.45 53.25 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.344 1.058 . . . . 61.3 112.598 -175.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.418 ' HG3' HD23 ' A' ' 24' ' ' LEU . 37.8 ttp-105 -58.6 -41.35 85.6 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.745 -1.116 . . . . 73.22 111.241 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -69.17 -32.65 72.12 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.458 1.103 . . . . 73.25 111.86 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -70.24 -34.92 73.44 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.368 0.667 . . . . 51.41 111.614 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.84 -40.94 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.118 0.567 . . . . 54.32 110.443 173.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 79' ' ' ARG . 71.9 mt -63.77 -35.79 81.75 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.634 0.773 . . . . 63.34 111.98 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 33' ' ' ILE . 86.4 m -80.89 -13.67 58.7 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.337 0.655 . . . . 52.21 112.444 177.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.86 75.35 Favored Glycine 0 N--CA 1.476 1.306 0 N-CA-C 114.079 0.392 . . . . 71.34 114.079 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.35 -38.81 78.29 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.44 0.696 . . . . 71.21 110.682 173.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 55.8 mt -103.66 129.28 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.846 0.858 . . . . 71.5 109.797 175.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.4 p -78.4 151.97 78.23 Favored Pre-proline 0 N--CA 1.486 1.345 0 C-N-CA 122.935 0.494 . . . . 43.21 110.986 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -50.54 -34.41 42.42 Favored 'Trans proline' 0 C--N 1.382 2.317 0 C-N-CA 123.433 2.756 . . . . 55.24 114.249 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -67.73 -44.86 76.59 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.742 0.817 . . . . 74.31 111.494 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -55.35 22.07 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.35 0.66 . . . . 54.32 111.947 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.4 tp -63.96 -34.63 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 C-N-CA 123.086 0.554 . . . . 62.1 112.253 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.638 ' HB1' ' HB ' ' A' ' 48' ' ' ILE . . . -59.2 -48.75 80.46 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.05 0.54 . . . . 50.14 112.395 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.2 m -99.13 8.61 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.468 0.707 . . . . 64.31 112.027 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 59.7 ttm -63.83 128.37 35.51 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.121 0.568 . . . . 75.53 111.918 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.1 p -89.6 160.37 16.7 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.188 0.595 . . . . 70.12 110.803 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.8 p -59.04 -36.22 74.66 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 124.052 0.941 . . . . 71.42 112.456 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.45 -50.21 64.13 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.264 1.026 . . . . 64.43 110.844 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.21 -40.85 94.71 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.898 1.279 . . . . 73.15 111.909 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.8 tmm? . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 124.907 1.283 . . . . 64.0 111.681 -177.095 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 112.821 0.675 . . . . 64.34 112.821 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.8 t -71.17 -47.39 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 122.86 0.464 . . . . 61.32 110.228 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -60.38 -34.63 74.17 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.545 -0.752 . . . . 74.24 111.76 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.39 -55.46 34.75 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.506 0.723 . . . . 73.4 110.692 176.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 9.7 mptt -69.33 -43.54 73.49 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.148 -0.933 . . . . 74.04 112.224 -175.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m -61.72 -42.51 99.05 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.913 0.485 . . . . 50.43 111.682 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.477 HH21 ' HG2' ' A' ' 38' ' ' GLU . 77.7 ttt180 -64.39 -51.39 63.48 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.996 0.518 . . . . 74.31 111.862 176.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' HG2' ' HA ' ' A' ' 15' ' ' LYS . 12.1 pt-20 -68.11 -32.75 73.27 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 112.433 0.531 . . . . 75.42 112.433 -175.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.617 ' SD ' HD11 ' A' ' 67' ' ' ILE . 22.5 ptp -75.8 -32.27 59.81 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 112.504 0.557 . . . . 75.44 112.504 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.03 -38.46 72.6 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 110.13 -0.322 . . . . 75.05 110.13 171.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.495 HG22 HE21 ' A' ' 25' ' ' GLN . 54.0 m -62.59 -35.53 79.82 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.361 0.664 . . . . 71.42 110.825 171.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.589 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -67.3 -36.04 80.69 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.095 0.958 . . . . 70.21 111.712 176.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.13 -27.85 67.66 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.588 0.755 . . . . 70.3 111.824 173.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -82.02 -29.43 31.99 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.509 0.723 . . . . 51.22 112.329 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.589 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 9.9 pt20 -103.33 12.36 35.52 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 123.691 0.797 . . . . 71.04 112.191 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -55.98 -37.67 69.39 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.135 0.974 . . . . 62.01 112.428 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.76 -87.99 0.45 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.427 0.691 . . . . 73.32 109.288 170.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -174.47 18.6 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 CA-C-N 118.601 0.637 . . . . 75.33 111.815 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.81 -40.89 76.81 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 125.461 1.504 . . . . 63.12 114.656 -162.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -63.9 -25.5 68.18 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.192 0.597 . . . . 74.53 112.167 -173.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.3 t -73.49 -48.01 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.509 0.724 . . . . 73.13 111.127 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.08 70.17 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.688 0.795 . . . . 71.0 112.585 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.531 HD11 ' HG3' ' A' ' 80' ' ' ARG . 70.4 mt -86.92 -31.48 6.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 123.606 0.763 . . . . 63.4 111.407 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.49 45.46 8.66 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 116.524 -0.307 . . . . 73.11 113.445 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.16 129.52 27.62 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.591 0.756 . . . . 63.22 110.251 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.66 117.39 9.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.201 0.6 . . . . 54.4 111.122 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.7 p -72.99 -21.98 60.76 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 113.221 0.822 . . . . 30.05 113.221 -175.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.477 ' HG2' HH21 ' A' ' 17' ' ' ARG . 39.4 tt0 -66.95 -48.55 68.23 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.068 0.547 . . . . 72.42 112.008 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -67.12 -35.06 78.93 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.462 0.705 . . . . 71.11 112.173 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.426 ' O ' HG13 ' A' ' 44' ' ' ILE . 79.8 mt -65.71 -47.16 76.31 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.204 0.601 . . . . 54.11 110.48 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.446 ' HA ' HD12 ' A' ' 44' ' ' ILE . 45.3 t -63.51 -31.4 72.55 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.042 0.937 . . . . 75.01 112.241 175.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.81 -40.56 88.1 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.53 0.732 . . . . 73.11 111.37 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -70.17 -31.23 68.61 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 116.337 -0.392 . . . . 63.02 111.731 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 41' ' ' SER . 76.6 mt -60.97 -43.41 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 122.761 0.424 . . . . 64.31 110.091 171.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.19 -41.26 78.99 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.068 0.947 . . . . 74.04 112.917 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.44 -51.39 63.37 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.057 0.543 . . . . 75.41 111.879 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.97 -34.94 79.62 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.456 -0.793 . . . . 73.41 112.604 -175.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 tt -77.51 -35.17 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 109.957 -0.386 . . . . 52.45 109.957 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.76 -28.2 69.81 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.621 0.769 . . . . 63.44 112.877 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 -70.31 -39.55 74.75 Favored 'General case' 0 CA--C 1.557 1.214 0 O-C-N 121.665 -0.647 . . . . 73.35 111.618 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -86.09 -38.69 17.53 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.526 0.73 . . . . 71.43 111.577 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 58' ' ' LYS . 40.8 t -110.21 -9.8 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 124.42 1.088 . . . . 72.32 112.969 -163.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.63 5.01 0.19 Allowed Glycine 0 N--CA 1.489 2.193 0 N-CA-C 117.723 1.849 . . . . 72.2 117.723 -171.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -74.19 1.55 11.05 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 123.992 0.917 . . . . 73.24 111.596 165.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.1 p 61.25 -105.74 0.21 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.361 1.864 . . . . 65.13 111.369 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t70 60.06 -179.27 0.09 Allowed 'General case' 0 CA--C 1.578 2.04 0 CA-C-N 118.963 0.801 . . . . 72.5 111.713 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -22.92 64.09 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.508 -0.745 . . . . 72.02 111.732 169.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.656 ' HD2' HG13 ' A' ' 52' ' ' VAL . 2.6 tmtp? -56.5 -52.12 65.92 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.527 0.731 . . . . 72.33 110.406 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -65.93 -52.28 51.25 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.201 0.6 . . . . 75.14 111.92 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.02 -43.78 98.38 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.12 0.968 . . . . 72.54 112.907 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -76.51 -39.93 51.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.618 0.599 . . . . 75.23 112.618 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -66.12 -37.1 84.9 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.164 0.431 . . . . 75.31 112.164 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.435 HG12 ' SD ' ' A' ' 19' ' ' MET . 87.0 t -64.31 -55.22 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 122.535 0.334 . . . . 42.4 111.211 176.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -62.04 -31.82 72.26 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 112.24 0.459 . . . . 75.53 112.24 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 t -69.91 -49.21 54.35 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.595 0.758 . . . . 72.31 111.919 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -59.76 -31.43 69.65 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 112.949 0.722 . . . . 54.13 112.949 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.617 HD11 ' SD ' ' A' ' 19' ' ' MET . 69.0 mt -52.13 -50.22 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.211 0.604 . . . . 55.32 111.627 175.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.2 p -66.14 -37.3 85.35 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.24 0.616 . . . . 65.35 111.678 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.81 -40.87 92.28 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 123.947 0.899 . . . . 73.42 112.119 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.74 -44.22 82.08 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.616 0.766 . . . . 74.42 111.251 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.2 ptpt -84.57 -2.68 57.74 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.012 0.745 . . . . 72.53 113.012 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -71.99 143.52 49.17 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 120.951 0.405 . . . . 65.24 111.454 -175.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.51 -17.11 61.77 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 113.268 0.84 . . . . 65.23 113.268 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -72.45 -46.58 54.34 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 122.727 0.411 . . . . 72.21 110.045 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.409 ' HB3' ' HB2' ' A' ' 78' ' ' LEU . 2.1 m-20 -124.11 76.23 59.47 Favored Pre-proline 0 CA--C 1.566 1.596 0 C-N-CA 123.393 0.677 . . . . 52.3 111.823 178.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.12 -26.49 7.63 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 122.09 1.86 . . . . 70.14 111.59 166.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.653 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 4.3 m-20 -67.25 -18.47 65.23 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.905 0.882 . . . . 72.44 112.346 174.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 75' ' ' ASN . 61.8 tp -59.15 -55.94 28.5 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.168 0.587 . . . . 75.23 110.92 175.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -73.99 -34.59 64.25 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.068 -0.515 . . . . 73.04 110.827 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.653 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 15.9 ttt180 -58.78 -41.66 87.18 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.219 1.008 . . . . 74.41 112.053 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -69.32 -31.75 70.41 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.042 0.537 . . . . 72.12 111.755 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 87' ' ' ILE . 52.6 t -66.43 -42.41 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-O 121.343 0.592 . . . . 63.43 110.443 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 68.7 mt -69.91 -30.9 68.43 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.145 0.978 . . . . 74.44 112.026 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.8 t -85.89 -15.24 42.39 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.571 0.748 . . . . 75.21 111.781 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.41 8.56 77.47 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 114.451 0.54 . . . . 74.13 114.451 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.9 -54.75 13.81 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.452 0.701 . . . . 30.11 110.426 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 82' ' ' VAL . 79.7 mt -89.93 123.0 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 108.333 -0.988 . . . . 60.14 108.333 167.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 91' ' ' GLN . 30.8 p -75.24 153.61 86.21 Favored Pre-proline 0 N--CA 1.48 1.053 0 C-N-CA 122.189 0.196 . . . . 74.54 110.979 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -52.07 -23.69 17.82 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 123.175 2.583 . . . . 64.41 114.13 170.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.52 -47.77 45.8 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.802 0.441 . . . . 54.55 111.06 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.409 ' HG2' ' OG1' ' A' ' 88' ' ' THR . 14.7 mm100 -60.41 -51.84 67.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.04 0.536 . . . . 75.13 111.571 -176.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.38 -23.14 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 N-CA-C 112.142 0.423 . . . . 72.53 112.142 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.36 -32.15 29.41 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.691 0.796 . . . . 74.55 112.762 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.7 m -95.54 -26.29 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 112.618 0.599 . . . . 75.24 112.618 -177.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 61.3 mtm -77.73 134.15 38.15 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.112 0.565 . . . . 75.21 111.495 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.4 p -76.38 165.56 24.66 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.139 0.575 . . . . 75.11 110.455 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.424 ' HA ' ' HB2' ' A' ' 100' ' ' MET . 32.4 p -56.37 -23.27 36.59 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 124.338 1.055 . . . . 71.54 113.652 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -71.31 -43.58 66.82 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.465 0.706 . . . . 75.44 111.172 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -71.08 -35.4 71.86 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 123.952 0.901 . . . . 72.11 111.428 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.424 ' HB2' ' HA ' ' A' ' 97' ' ' SER . 69.7 mtp . . . . . 0 CA--C 1.558 1.282 0 C-N-CA 124.252 1.021 . . . . 75.31 111.037 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 112.175 0.435 . . . . 72.52 112.175 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.91 -59.46 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.776 0.83 . . . . 71.41 112.415 -170.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -61.62 -30.47 70.71 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.666 0.786 . . . . 62.41 111.629 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -63.42 -49.42 73.81 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.87 0.468 . . . . 74.52 110.878 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -71.8 -33.32 68.45 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.027 -0.533 . . . . 45.31 111.766 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -61.04 -47.36 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.032 0.533 . . . . 65.34 110.655 174.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.423 HH21 ' HG3' ' A' ' 38' ' ' GLU . 3.8 tmt_? -55.01 -45.68 75.14 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.219 1.008 . . . . 75.04 110.87 173.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -59.37 -48.92 79.81 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.638 0.775 . . . . 75.24 112.696 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.2 mtm -74.3 -33.93 63.36 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.633 0.773 . . . . 71.43 112.825 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.3 -41.59 76.58 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.755 0.422 . . . . 34.42 110.821 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -64.34 -36.8 85.3 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.086 0.554 . . . . 75.33 110.848 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.492 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -64.83 -34.82 79.27 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.713 0.805 . . . . 60.42 111.648 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -65.06 -37.4 87.45 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.532 0.733 . . . . 64.21 111.526 174.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 70' ' ' LEU . 89.1 mt -76.99 -7.57 55.85 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.817 0.847 . . . . 53.41 113.073 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.492 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 3.7 pt20 -125.08 10.35 8.14 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.653 0.781 . . . . 75.21 111.932 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.7 t -58.1 -28.19 64.38 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.173 0.805 . . . . 75.42 113.173 -168.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -154.16 54.4 0.7 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.612 0.765 . . . . 71.24 109.244 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.9 m170 61.34 34.34 18.47 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.285 1.034 . . . . 70.31 113.327 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.52 -52.54 64.07 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.811 0.844 . . . . 73.11 111.539 -175.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -71.53 -26.24 62.57 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 116.027 -0.533 . . . . 75.11 112.135 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.28 -34.02 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.895 0.878 . . . . 62.22 111.385 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.8 72.79 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.783 0.833 . . . . 72.24 112.051 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.54 HD11 ' HD2' ' A' ' 80' ' ' ARG . 54.7 mt -98.94 -16.39 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.508 0 C-N-CA 124.06 0.944 . . . . 74.25 111.272 -178.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.88 14.34 82.26 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 122.85 0.262 . . . . 72.2 113.359 -174.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.427 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -77.18 138.22 39.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.261 1.024 . . . . 42.42 112.372 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.573 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 14.5 m-20 -78.73 93.5 4.94 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.889 0.476 . . . . 72.32 110.788 177.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.2 p -62.85 -22.46 66.7 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.628 0.771 . . . . 72.5 112.95 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.423 ' HG3' HH21 ' A' ' 17' ' ' ARG . 41.3 tt0 -59.24 -52.77 64.25 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.022 0.929 . . . . 72.04 112.565 178.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.573 ' HE ' ' HB2' ' A' ' 36' ' ' ASP . 16.7 ptt180 -74.88 -35.82 62.28 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.611 0.364 . . . . 65.03 111.508 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.427 HD11 ' HB1' ' A' ' 35' ' ' ALA . 94.9 mt -59.98 -46.17 90.31 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.066 0.547 . . . . 72.31 111.574 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.7 t -56.95 -46.99 81.74 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.203 1.001 . . . . 71.31 111.837 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.12 73.47 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.815 0.846 . . . . 72.43 112.303 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -77.15 -37.94 52.85 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.373 0.669 . . . . 75.45 112.757 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 40' ' ' LEU . 72.7 mt -61.83 -43.78 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-O 121.901 0.858 . . . . 74.11 109.377 172.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.38 -48.21 82.3 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 113.459 -1.7 . . . . 74.44 112.198 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.34 -33.54 76.07 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 112.078 0.399 . . . . 70.32 112.078 -174.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.3 m -69.07 -49.68 55.2 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.904 0.482 . . . . 73.55 111.182 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.479 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 15.6 tt -72.21 -24.34 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.483 0 C-N-CA 123.26 0.624 . . . . 75.21 111.673 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -62.19 -25.53 67.83 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.615 1.166 . . . . 60.34 112.82 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -55.03 -60.87 2.78 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.497 0.719 . . . . 75.0 112.239 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.37 -53.66 4.45 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.426 0.631 . . . . 74.11 111.688 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.443 HG13 ' HG3' ' A' ' 58' ' ' LYS . 47.7 t -85.24 -14.2 11.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 C-N-CA 124.254 1.022 . . . . 74.41 113.077 -169.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.99 31.8 1.3 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 115.587 0.995 . . . . 72.23 115.587 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -95.48 13.36 26.26 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 125.871 1.669 . . . . 72.43 112.278 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.2 p 56.32 19.34 3.9 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 125.584 1.554 . . . . 63.32 114.089 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.486 ' HB3' ' HG2' ' A' ' 58' ' ' LYS . 37.1 t70 -75.57 172.21 12.96 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.517 0.727 . . . . 73.34 110.974 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 82.2 mtp -56.17 -28.4 57.94 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.133 0.573 . . . . 73.51 112.277 172.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.486 ' HG2' ' HB3' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -62.31 -39.2 92.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.967 0.507 . . . . 71.15 110.687 173.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.431 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 84.0 t80 -70.24 -48.83 55.22 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.09 0.956 . . . . 75.04 111.019 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -60.61 -37.73 82.38 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.779 0.831 . . . . 65.33 111.502 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -69.08 -47.15 65.99 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.702 0.801 . . . . 74.12 110.545 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -61.04 -40.05 92.14 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.28 0.632 . . . . 75.4 111.924 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 67' ' ' ILE . 78.2 t -66.78 -56.34 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 122.937 0.495 . . . . 73.15 110.842 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.428 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.4 ptm180 -60.28 -36.91 78.93 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 122.995 0.518 . . . . 71.21 112.37 -177.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.6 m -70.12 -41.56 73.8 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.174 0.59 . . . . 74.11 110.377 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -42.61 98.82 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.16 0.584 . . . . 63.52 111.204 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.573 HG23 ' HB2' ' A' ' 23' ' ' ALA . 81.4 mt -55.83 -47.77 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 124.261 1.024 . . . . 73.52 110.83 176.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -61.69 -36.39 80.74 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.623 0.769 . . . . 74.5 112.069 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.423 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 12.9 m120 -74.12 -32.45 63.19 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.494 0.718 . . . . 61.51 111.727 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 97.6 mt -74.34 -9.74 58.9 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.905 0.882 . . . . 75.55 111.804 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -124.4 14.55 8.91 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.61 0.764 . . . . 74.54 112.524 172.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 30.7 t0 -65.77 143.04 57.75 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 113.282 0.845 . . . . 61.05 113.282 -170.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.09 -30.98 20.71 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.356 1.062 . . . . 72.24 111.63 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -74.23 -31.72 62.7 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.427 0.691 . . . . 73.22 110.728 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.579 ' HB3' ' HB2' ' A' ' 78' ' ' LEU . 28.5 m-80 -121.92 78.57 40.98 Favored Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 124.596 1.158 . . . . 62.52 110.594 173.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.29 -28.86 12.0 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.321 2.014 . . . . 61.14 111.045 171.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.91 -23.72 62.33 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.394 1.077 . . . . 63.25 111.59 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 75' ' ' ASN . 33.2 tp -63.1 -58.01 8.69 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.771 0.428 . . . . 70.24 110.471 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -64.71 -41.95 95.62 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.714 0.805 . . . . 62.11 111.564 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.54 ' HD2' HD11 ' A' ' 33' ' ' ILE . 28.5 tpt180 -54.93 -49.91 70.13 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.645 0.778 . . . . 75.12 111.728 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -75.74 -32.52 60.03 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 112.557 0.577 . . . . 71.52 112.557 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 78' ' ' LEU . 75.4 t -62.47 -49.09 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 CA-C-N 118.583 0.629 . . . . 73.42 110.483 174.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.401 HD21 HD22 ' A' ' 24' ' ' LEU . 55.3 mt -68.46 -31.04 70.05 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 123.786 0.834 . . . . 74.31 111.9 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.0 t -82.01 -12.3 58.38 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.01 0.524 . . . . 75.51 112.146 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.26 6.27 84.44 Favored Glycine 0 CA--C 1.54 1.626 0 N-CA-C 114.449 0.539 . . . . 71.24 114.449 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.03 -47.84 41.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.498 0.719 . . . . 73.14 111.408 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.8 mt -88.03 123.35 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 109.037 -0.727 . . . . 51.41 109.037 168.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.6 p -75.38 149.84 84.51 Favored Pre-proline 0 CA--C 1.557 1.249 0 C-N-CA 123.061 0.544 . . . . 73.02 111.782 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -45.76 -36.34 14.69 Favored 'Trans proline' 0 C--N 1.381 2.259 0 C-N-CA 124.106 3.204 . . . . 62.45 115.588 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -29.51 60.89 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.5 0.556 . . . . 64.05 112.5 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.47 -60.24 2.73 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.664 0.386 . . . . 63.04 110.887 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.55 -26.81 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 123.132 0.573 . . . . 71.45 111.949 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.479 ' HB1' ' HB ' ' A' ' 48' ' ' ILE . . . -65.69 -43.72 88.38 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 123.018 0.527 . . . . 55.44 112.411 174.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.4 m -94.84 -18.62 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 N-CA-C 113.505 0.928 . . . . 73.54 113.505 -173.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 79.3 mtp -70.05 126.9 31.03 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 112.32 0.489 . . . . 65.14 112.32 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.0 p -92.15 177.2 6.23 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.071 0.948 . . . . 54.02 110.946 175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.8 p -61.36 -30.74 70.72 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.456 0.702 . . . . 71.34 111.251 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -61.8 -45.89 91.91 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.214 1.006 . . . . 54.25 111.035 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -70.2 -34.9 73.5 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.385 0.674 . . . . 64.25 111.999 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 61.5 mtp . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 123.933 0.893 . . . . 74.34 111.95 175.861 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.111 0 N-CA-C 114.892 1.442 . . . . 62.4 114.892 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -68.3 -51.93 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 CA-C-N 118.173 0.442 . . . . 71.14 111.672 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -65.99 -27.44 68.14 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.966 0.906 . . . . 74.0 112.283 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -77.02 -56.63 4.42 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 122.529 0.332 . . . . 74.1 110.668 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -59.54 -38.91 82.27 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.296 1.038 . . . . 72.41 113.21 -173.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.509 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.1 t -64.49 -52.72 56.44 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 122.649 0.379 . . . . 73.23 111.913 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -27.95 69.19 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 118.728 0.695 . . . . 60.43 112.532 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.0 -39.57 83.18 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.833 0.679 . . . . 71.21 112.833 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.1 ptp -75.04 -27.7 60.13 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.261 0.225 . . . . 71.14 110.951 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 81.3 mt -69.39 -35.09 75.45 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.921 0.488 . . . . 74.4 111.228 170.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 50.4 m -63.95 -44.29 93.26 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.037 0.535 . . . . 74.43 109.87 172.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.16 73.13 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.973 0.909 . . . . 72.12 111.871 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.27 -30.29 68.37 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.263 0.625 . . . . 65.12 111.735 173.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -86.48 -3.68 59.05 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.549 0.74 . . . . 74.41 112.544 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.503 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 33.3 mm-40 -80.45 -9.73 59.75 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.438 0.695 . . . . 73.02 111.875 171.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 70' ' ' LEU . 15.2 t -59.01 -31.46 68.83 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.869 0.868 . . . . 71.12 112.084 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -118.06 135.63 54.06 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.451 1.1 . . . . 71.33 110.307 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -79.91 2.2 24.32 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.254 0.622 . . . . 72.44 112.062 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -57.25 -31.13 65.24 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.794 0.838 . . . . 71.44 113.018 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.588 ' HB3' HD22 ' A' ' 83' ' ' LEU . 51.0 p-80 -62.4 -33.15 74.21 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 118.336 0.516 . . . . 73.02 111.815 176.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.9 t -74.81 -52.69 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.086 0.555 . . . . 50.04 110.647 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.45 90.92 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.156 0.982 . . . . 63.33 113.061 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.524 HG21 ' HA ' ' A' ' 84' ' ' CYS . 81.9 mt -73.9 -29.91 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.955 0.902 . . . . 75.21 110.777 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.53 31.86 12.63 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-N 116.386 -0.37 . . . . 52.33 113.171 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.22 110.81 22.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.785 0.834 . . . . 61.21 109.773 174.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 5.4 m-20 -70.28 109.78 4.89 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.246 0.546 . . . . 75.13 110.563 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.503 ' SG ' ' NE2' ' A' ' 25' ' ' GLN . 23.0 p -68.07 -5.82 19.58 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.15 1.167 . . . . 35.3 114.15 -172.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.38 -36.74 77.09 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 123.133 0.573 . . . . 72.4 112.264 172.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 11.5 ptp180 -73.75 -34.2 64.64 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 122.691 0.396 . . . . 73.33 110.302 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 44' ' ' ILE . 88.9 mt -65.42 -51.38 60.69 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.322 0.649 . . . . 71.42 110.535 177.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -62.45 -35.73 80.2 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.143 0.977 . . . . 62.0 112.585 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.23 67.94 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.632 0.773 . . . . 53.12 112.556 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -77.41 -30.41 53.5 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 122.445 0.298 . . . . 72.33 111.617 172.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.471 HG23 ' HB2' ' A' ' 93' ' ' ALA . 73.9 mt -63.42 -38.1 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 CA-C-O 121.316 0.579 . . . . 64.35 109.516 168.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -61.0 -41.38 96.42 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.104 1.362 . . . . 54.21 113.128 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -31.76 58.61 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 116.425 -0.352 . . . . 75.43 111.232 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.457 ' HA ' ' NH2' ' A' ' 50' ' ' ARG . 74.3 m -66.95 -49.2 66.2 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.407 0.683 . . . . 75.31 112.324 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.3 tt -66.58 -33.07 61.03 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.342 0 C-N-CA 123.026 0.531 . . . . 72.44 111.779 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -66.43 -25.71 66.88 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.508 0.929 . . . . 61.31 113.508 -174.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.457 ' NH2' ' HA ' ' A' ' 47' ' ' CYS . 74.8 mtm-85 -67.36 -49.95 61.86 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 121.749 -0.595 . . . . 74.03 112.433 -177.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.13 -41.9 12.0 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.123 0.569 . . . . 71.32 112.509 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 59' ' ' TYR . 22.0 t -93.51 -11.11 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 123.967 0.907 . . . . 60.22 112.367 -171.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.65 28.74 0.49 Allowed Glycine 0 CA--C 1.54 1.631 0 N-CA-C 117.024 1.57 . . . . 72.43 117.024 -173.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -64.98 -21.86 66.91 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 117.925 0.862 . . . . 72.01 110.733 161.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t 50.1 29.88 3.85 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 126.989 2.116 . . . . 72.11 114.197 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -94.22 -82.72 0.35 Allowed 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 115.799 -0.637 . . . . 71.02 110.683 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.1 ttp -119.22 -44.03 2.6 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.387 1.075 . . . . 64.2 110.214 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HG2' HG13 ' A' ' 52' ' ' VAL . 45.0 tttp -52.58 -46.9 67.09 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.285 1.434 . . . . 65.11 112.274 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.476 ' O ' HG23 ' A' ' 63' ' ' VAL . 37.2 t80 -58.52 -51.09 71.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.255 1.022 . . . . 75.5 111.967 -177.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -55.23 -50.96 68.1 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.552 0.741 . . . . 73.31 112.131 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -73.06 -34.32 66.2 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.344 0.657 . . . . 74.53 112.356 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -68.41 -36.02 78.49 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.515 0.726 . . . . 64.51 111.197 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 59' ' ' TYR . 95.1 t -65.15 -44.64 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 CA-C-N 115.868 -0.605 . . . . 72.04 110.817 172.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -64.02 -33.36 75.57 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 122.78 0.432 . . . . 74.44 111.882 176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.9 t -65.24 -40.91 94.66 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.556 0.742 . . . . 65.31 110.576 174.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HE ' ' HG ' ' A' ' 70' ' ' LEU . 6.7 tpm_? -61.9 -46.78 87.87 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.399 0.68 . . . . 65.32 111.115 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.0 -50.79 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.919 0.888 . . . . 64.23 111.925 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.3 p -66.48 -42.68 87.1 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.392 0.677 . . . . 74.2 111.832 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -63.88 -22.53 66.96 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.557 0.743 . . . . 74.33 112.728 172.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.503 ' O ' HG21 ' A' ' 26' ' ' THR . 76.8 mt -83.46 -23.48 32.22 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 112.271 0.471 . . . . 73.53 112.271 170.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -106.21 6.56 30.91 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 113.636 0.976 . . . . 73.23 113.636 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.71 121.62 24.96 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 118.039 0.381 . . . . 72.01 111.675 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.09 -9.86 58.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 114.534 1.309 . . . . 74.04 114.534 -172.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -84.31 -21.74 30.89 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.585 0.587 . . . . 74.21 112.585 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -130.48 88.95 45.6 Favored Pre-proline 0 N--CA 1.493 1.702 0 C-N-CA 123.225 0.61 . . . . 74.11 109.555 172.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -81.04 -24.06 4.95 Favored 'Trans proline' 0 C--N 1.374 1.879 0 C-N-CA 122.677 2.251 . . . . 75.35 114.309 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.26 -33.98 75.66 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.886 1.275 . . . . 71.11 112.044 -174.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.2 tp -51.26 -53.92 30.84 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.168 1.387 . . . . 53.33 113.662 -172.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.684 ' HD2' ' H ' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -74.7 -36.2 62.74 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 115.884 -0.598 . . . . 72.22 111.359 -168.128 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -61.72 -36.93 82.38 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.259 0.35 . . . . 73.2 111.223 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.589 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 65.1 m-80 -64.53 -35.58 81.42 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.522 0.564 . . . . 73.13 112.522 172.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.2 t -68.76 -39.92 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 CA-C-O 121.315 0.579 . . . . 62.54 110.724 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 30' ' ' HIS . 85.3 mt -79.66 -15.25 57.93 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.92 0.888 . . . . 63.15 112.21 -177.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.589 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 17.4 p -96.78 -13.67 22.47 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.061 0.544 . . . . 63.45 111.324 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.6 8.55 63.83 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 114.341 0.496 . . . . 71.24 114.341 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.09 -52.42 23.95 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.317 0.647 . . . . 72.35 110.794 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 73.7 mt -91.15 122.85 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 108.696 -0.853 . . . . 71.21 108.696 167.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 p -75.53 155.8 85.37 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 122.753 0.421 . . . . 74.04 110.891 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -54.66 -28.07 54.53 Favored 'Trans proline' 0 C--N 1.374 1.921 0 C-N-CA 122.918 2.412 . . . . 74.02 113.886 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -43.7 53.69 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.501 0.72 . . . . 73.53 110.798 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -66.44 -45.75 78.77 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.149 0.579 . . . . 71.14 112.205 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.4 tp -60.09 -35.76 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-O 120.644 0.259 . . . . 70.3 111.278 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.471 ' HB2' HG23 ' A' ' 44' ' ' ILE . . . -66.74 -39.53 87.99 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.511 0.725 . . . . 62.32 112.621 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.2 m -92.51 -19.39 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 113.959 1.096 . . . . 64.32 113.959 -172.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 95' ' ' MET . 61.7 mtm -69.19 138.46 54.09 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 118.382 0.537 . . . . 71.32 111.192 177.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.7 p -74.5 166.97 22.63 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.168 0.587 . . . . 61.32 111.911 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 92.9 p -59.93 -31.46 69.87 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.101 0.561 . . . . 63.24 111.78 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.19 -40.5 97.67 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.713 0.805 . . . . 73.2 112.169 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.67 -47.96 57.25 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.706 0.765 . . . . 71.4 110.871 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.433 ' SD ' ' NH1' ' A' ' 66' ' ' ARG . 66.9 mtm . . . . . 0 N--CA 1.481 1.124 0 CA-C-N 114.738 -1.119 . . . . 62.02 113.41 -172.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.206 0 N-CA-C 114.345 1.239 . . . . 62.2 114.345 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.8 t -71.86 -63.4 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 CA-C-N 118.829 0.74 . . . . 63.3 111.435 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -34.97 75.16 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.272 0.629 . . . . 73.01 111.949 -170.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -64.9 -49.06 71.92 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 110.187 -0.301 . . . . 52.42 110.187 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -60.92 -41.53 96.36 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.271 0.628 . . . . 75.15 112.179 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -56.9 -46.07 82.17 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.961 0.504 . . . . 62.03 111.258 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -65.79 -42.09 91.16 Favored 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 123.89 0.876 . . . . 73.23 110.862 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.75 -39.01 93.23 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 124.278 1.031 . . . . 64.55 112.472 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.2 mtm -74.39 -37.34 63.44 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.564 0.746 . . . . 71.35 111.488 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.14 -36.47 79.73 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.568 0.347 . . . . 73.33 110.819 172.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.573 HG23 ' SG ' ' A' ' 37' ' ' CYS . 66.5 m -64.96 -42.89 94.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.319 0.648 . . . . 65.53 111.011 174.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.96 -32.77 74.66 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.608 0.763 . . . . 65.32 111.538 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -70.01 -28.26 65.35 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.737 0.815 . . . . 71.34 111.671 172.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD22 ' HE1' ' A' ' 30' ' ' HIS . 95.0 mt -86.7 -16.07 37.61 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.375 0.67 . . . . 70.15 112.388 173.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -104.24 -2.0 26.3 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 123.811 0.845 . . . . 74.41 112.715 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -58.87 -33.09 70.08 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.151 0.5 . . . . 73.43 111.599 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -89.03 -29.36 19.52 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.021 0.928 . . . . 73.23 112.273 176.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 m80 62.84 5.9 1.96 Allowed 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 124.923 1.289 . . . . 64.34 113.001 -171.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.41 -24.65 60.31 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.918 0.887 . . . . 72.34 110.706 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' HD2' ' HB3' ' A' ' 35' ' ' ALA . 2.2 m80 -55.52 -41.02 72.54 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.887 0.875 . . . . 74.42 111.748 170.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.4 t -68.42 -37.64 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 123.232 0.613 . . . . 65.32 110.972 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.65 85.81 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.802 0.841 . . . . 70.45 112.244 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.0 mt -78.31 -26.5 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.631 0.773 . . . . 74.33 110.992 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.89 0.74 68.32 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-N 116.43 -0.35 . . . . 45.04 113.079 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB3' ' HD2' ' A' ' 30' ' ' HIS . . . -78.14 110.64 13.29 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.551 0.74 . . . . 55.1 110.479 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.05 129.19 37.52 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.562 0.345 . . . . 53.42 110.865 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.573 ' SG ' HG23 ' A' ' 21' ' ' THR . 7.7 p -73.82 -31.67 63.34 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.382 1.253 . . . . 74.42 114.382 -172.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.35 -41.35 73.27 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 123.051 0.541 . . . . 71.55 112.366 -172.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -65.06 -33.3 75.72 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.287 0.635 . . . . 72.23 111.205 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 44' ' ' ILE . 73.1 mt -67.0 -55.39 14.66 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.12 0.568 . . . . 72.35 110.611 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -60.03 -32.46 70.92 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.922 0.889 . . . . 75.4 112.429 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.77 -41.9 86.99 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.5 0.72 . . . . 73.5 112.239 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -71.64 -33.55 69.02 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.955 0.502 . . . . 61.32 111.612 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 40' ' ' LEU . 79.6 mt -61.92 -45.54 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.438 0.695 . . . . 73.31 109.873 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -69.71 -34.36 73.79 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.422 -0.808 . . . . 71.42 111.586 -177.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -34.58 72.66 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 113.965 1.098 . . . . 72.35 113.965 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.0 m -76.61 -49.24 16.77 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.004 0.372 . . . . 71.21 112.004 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.582 HG21 HH12 ' A' ' 66' ' ' ARG . 3.7 tt -70.3 -34.54 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 123.631 0.772 . . . . 62.24 112.411 -177.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.98 -25.3 60.84 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.734 1.214 . . . . 71.32 113.233 -172.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -67.31 -50.45 60.14 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.594 0.758 . . . . 75.43 111.419 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -90.23 -47.39 7.81 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.865 0.866 . . . . 55.2 112.741 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.452 ' HB ' HG12 ' A' ' 48' ' ' ILE . 56.6 t -102.26 -18.19 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 124.381 1.073 . . . . 60.42 112.659 -170.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.45 30.39 1.01 Allowed Glycine 0 CA--C 1.547 2.09 0 N-CA-C 115.828 1.091 . . . . 73.41 115.828 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -82.89 6.2 19.27 Favored 'General case' 0 CA--C 1.565 1.529 0 C-N-CA 125.732 1.613 . . . . 70.25 112.508 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.1 p 61.73 21.85 12.51 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 125.615 1.566 . . . . 74.0 113.411 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.82 170.64 16.24 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.236 1.015 . . . . 72.31 111.07 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.0 ttm -51.96 -34.91 44.22 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.757 1.223 . . . . 70.35 112.194 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -54.08 -51.2 64.88 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.21 1.004 . . . . 60.24 111.659 171.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -66.64 -37.82 85.6 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.481 1.112 . . . . 75.22 112.177 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -64.11 -44.98 90.62 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.122 0.569 . . . . 75.21 110.944 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -68.24 -39.08 82.38 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-N 115.596 -0.729 . . . . 71.11 111.504 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -67.68 -42.8 81.52 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.734 0.814 . . . . 74.32 112.682 -176.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.3 t -67.76 -47.19 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 122.829 0.452 . . . . 53.24 111.255 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.549 ' HA ' HD12 ' A' ' 67' ' ' ILE . 39.6 ptt180 -64.88 -28.91 69.86 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 112.121 0.415 . . . . 63.22 112.121 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -59.12 -41.54 88.46 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.354 0.662 . . . . 75.43 111.564 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.582 HH12 HG21 ' A' ' 48' ' ' ILE . 99.3 mtt180 -64.54 -54.05 38.36 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.976 0.511 . . . . 74.51 111.083 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 64' ' ' ARG . 60.3 mt -51.9 -43.98 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 124.499 1.12 . . . . 71.5 111.508 -176.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.5 t -58.07 -51.83 68.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.475 1.11 . . . . 61.41 111.94 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 100' ' ' MET . 61.6 t30 -72.37 -28.08 62.79 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.132 0.973 . . . . 71.14 112.34 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 90.4 mt -82.9 -4.84 58.64 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.008 0.923 . . . . 71.01 112.337 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.432 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.5 ptpt -121.17 5.37 10.31 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.216 0.606 . . . . 72.14 111.011 169.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.99 131.06 37.22 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.263 0.625 . . . . 45.3 112.068 -171.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.92 62.85 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.039 0.936 . . . . 74.11 112.854 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.2 -24.32 37.53 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.59 0.756 . . . . 73.51 110.9 -175.556 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -122.66 81.02 48.12 Favored Pre-proline 0 CA--C 1.562 1.441 0 C-N-CA 122.965 0.506 . . . . 64.24 110.373 169.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -83.64 -20.94 4.43 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.731 2.288 . . . . 64.34 112.694 170.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.98 -50.17 73.49 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.48 1.112 . . . . 63.1 112.544 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.545 HD21 HD13 ' A' ' 92' ' ' ILE . 68.0 tp -55.43 -55.19 34.63 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.555 0.742 . . . . 73.1 112.256 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -71.81 -30.27 65.33 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.571 0.748 . . . . 73.11 112.607 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 83' ' ' LEU . 2.7 tmt_? -69.94 -36.23 75.14 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.924 0.89 . . . . 72.02 109.901 178.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.447 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 91.8 m-20 -67.17 -41.73 85.44 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.713 -0.676 . . . . 73.52 111.121 172.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.89 -30.08 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.615 0 C-N-CA 122.842 0.457 . . . . 70.02 111.347 175.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 80' ' ' ARG . 45.5 mt -61.64 -53.96 49.18 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.77 0.828 . . . . 32.01 110.864 174.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 26.3 p -81.37 -10.76 59.47 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.831 0.853 . . . . 60.44 112.692 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.86 64.43 1.87 Allowed Glycine 0 CA--C 1.537 1.451 0 C-N-CA 122.799 0.238 . . . . 70.22 113.225 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.49 -54.21 2.47 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.188 0.995 . . . . 64.15 109.929 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 81' ' ' ASN . 1.7 mp -80.64 127.25 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 N-CA-C 109.033 -0.729 . . . . 71.34 109.033 170.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.2 p -76.92 148.52 79.0 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 115.885 -0.598 . . . . 61.31 110.63 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.91 -21.9 60.1 Favored 'Trans proline' 0 C--N 1.372 1.779 0 C-N-CA 122.502 2.135 . . . . 60.32 114.243 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -71.86 -34.12 68.96 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 117.735 0.243 . . . . 72.22 111.445 174.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -61.78 -59.38 5.24 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.984 0.514 . . . . 74.42 111.213 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.545 HD13 HD21 ' A' ' 78' ' ' LEU . 7.1 tp -60.92 -20.94 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 CA-C-O 121.296 0.569 . . . . 62.14 112.046 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.504 ' HA ' ' NH2' ' A' ' 66' ' ' ARG . . . -73.1 -46.96 48.31 Favored 'General case' 0 CA--C 1.557 1.229 0 N-CA-C 112.477 0.547 . . . . 75.51 112.477 173.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.8 m -88.26 -24.52 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 N-CA-C 113.254 0.835 . . . . 73.23 113.254 -172.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 67.0 mtm -70.45 128.82 37.47 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.282 0.475 . . . . 71.13 112.282 -175.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.1 p -63.83 167.35 6.14 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.979 0.912 . . . . 74.54 111.046 177.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.7 t -61.86 -29.04 69.92 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 112.023 0.379 . . . . 64.25 112.023 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.45 -36.61 81.51 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.525 0.73 . . . . 61.05 110.812 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -77.76 -34.56 52.38 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.482 0.713 . . . . 71.5 111.404 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.454 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 67.1 mtp . . . . . 0 CA--C 1.557 1.23 0 C-N-CA 123.799 0.84 . . . . 71.41 111.394 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.948 0 N-CA-C 111.796 0.295 . . . . 61.0 111.796 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.06 -55.55 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 123.33 0.652 . . . . 73.22 111.218 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -62.74 -42.92 99.9 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.435 0.694 . . . . 75.31 111.184 -177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.75 -42.86 94.85 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.023 0.529 . . . . 74.2 111.134 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -62.6 -46.31 88.87 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.241 0.616 . . . . 71.33 111.319 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -57.86 -46.34 84.95 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.002 0.921 . . . . 73.44 111.625 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -57.61 -45.96 84.67 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.809 1.244 . . . . 64.32 111.442 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -77.28 -25.7 51.67 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.493 0.923 . . . . 72.33 113.493 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.1 mtm -75.04 -31.57 61.34 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.818 0.447 . . . . 64.02 111.263 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 45' ' ' GLU . 62.2 mt -70.17 -34.01 72.47 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.342 0.257 . . . . 72.33 110.682 170.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.7 m -61.24 -47.1 87.59 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.838 0.455 . . . . 62.41 110.332 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -59.99 -35.68 75.54 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.096 0.959 . . . . 33.23 111.817 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.67 95.25 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.663 0.785 . . . . 65.23 111.634 172.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.588 HD21 HD22 ' A' ' 70' ' ' LEU . 98.2 mt -78.04 -6.96 56.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 113.552 0.945 . . . . 71.12 113.552 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 4.6 pt20 -125.21 13.17 8.3 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.135 0.574 . . . . 73.02 112.047 177.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -57.42 -35.66 70.34 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.766 0.654 . . . . 74.41 112.766 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -118.58 24.25 11.01 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.807 0.843 . . . . 72.5 110.745 174.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.8 m80 53.83 38.32 28.37 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.713 0.805 . . . . 71.13 110.501 -166.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -57.04 -43.19 81.7 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.672 1.189 . . . . 64.54 113.042 -164.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -64.8 -30.22 71.22 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.211 0.819 . . . . 73.22 113.211 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.8 -36.49 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 C-N-CA 123.527 0.731 . . . . 62.43 111.463 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.33 70.22 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.251 0.62 . . . . 53.43 111.931 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -90.47 -29.39 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 C-N-CA 124.028 0.931 . . . . 71.14 111.852 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.81 10.12 57.97 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 122.391 -0.193 . . . . 71.54 113.376 -173.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.1 159.26 26.16 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.992 0.917 . . . . 64.12 112.393 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.472 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 8.3 m-20 -107.37 96.25 6.28 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.826 0.85 . . . . 73.44 109.772 175.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.7 p -68.45 -33.4 74.11 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 114.079 1.14 . . . . 53.44 114.079 -166.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -37.64 87.92 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 112.963 0.727 . . . . 74.21 112.963 -175.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 14.8 ptp180 -82.85 -29.99 28.98 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.608 0.363 . . . . 64.24 111.244 177.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 75.0 mt -66.27 -43.67 85.78 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.537 0.335 . . . . 74.22 111.202 176.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.411 ' HB3' HD12 ' A' ' 24' ' ' LEU . 93.1 p -65.62 -35.9 82.15 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.978 0.911 . . . . 73.31 111.491 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.71 91.25 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.471 0.709 . . . . 64.35 111.519 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 59.5 mt-30 -67.5 -40.06 85.19 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.334 0.653 . . . . 71.23 111.365 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 40' ' ' LEU . 74.7 mt -61.13 -53.88 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-O 121.314 0.578 . . . . 64.24 110.733 177.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.639 ' HB3' HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -69.97 -32.44 70.67 Favored 'General case' 0 C--O 1.209 -1.066 0 CA-C-N 115.459 -0.791 . . . . 74.5 112.553 -173.474 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -73.62 -32.87 64.28 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 118.97 0.804 . . . . 63.02 112.009 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.5 m -59.91 -49.69 76.7 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.1 0.56 . . . . 71.33 111.11 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.9 tt -76.42 -25.01 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.531 0 CA-C-N 115.978 -0.555 . . . . 71.42 111.392 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -72.85 -31.85 65.04 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 123.435 0.694 . . . . 74.01 111.8 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 47.0 mtm105 -72.53 -19.73 61.46 Favored 'General case' 0 CA--C 1.558 1.262 0 O-C-N 121.806 -0.559 . . . . 74.04 111.523 174.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -91.31 -41.73 10.77 Favored 'General case' 0 CA--C 1.569 1.688 0 C-N-CA 123.716 0.807 . . . . 75.53 112.541 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.565 HG13 ' HE2' ' A' ' 58' ' ' LYS . 71.6 t -113.34 -10.34 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 125.137 1.375 . . . . 74.24 112.53 -164.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.98 2.16 1.08 Allowed Glycine 0 N--CA 1.486 2.009 0 N-CA-C 117.132 1.613 . . . . 72.45 117.132 -171.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -63.64 -13.05 38.82 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.855 0.862 . . . . 72.22 111.588 167.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p 60.9 -91.46 0.03 OUTLIER 'General case' 0 C--N 1.359 1.01 0 C-N-CA 126.496 1.919 . . . . 73.42 111.895 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 t70 56.68 -74.96 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 125.047 1.339 . . . . 72.23 112.129 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.6 ttp -147.25 -41.29 0.18 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.395 1.078 . . . . 71.01 110.313 171.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HE2' HG13 ' A' ' 52' ' ' VAL . 21.4 ptmt -55.16 -40.64 70.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.523 1.129 . . . . 62.44 113.798 -170.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.423 ' O ' HG23 ' A' ' 63' ' ' VAL . 54.8 t80 -59.39 -49.07 79.24 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.257 0.466 . . . . 62.22 112.257 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.36 -44.25 96.91 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.401 0.68 . . . . 72.43 111.738 -176.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -67.69 -43.28 80.5 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.584 0.753 . . . . 73.34 111.906 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' A' ' 58' ' ' LYS . 3.7 mpt_? -64.6 -35.58 81.46 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.589 0.755 . . . . 74.31 111.714 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 59' ' ' TYR . 62.6 t -64.38 -48.97 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 122.63 0.372 . . . . 54.13 110.625 173.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -53.25 -41.41 65.45 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 123.686 0.794 . . . . 73.52 112.229 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.0 m -68.02 -42.54 80.47 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 115.785 -0.643 . . . . 71.34 111.397 175.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -33.33 72.39 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.033 0.533 . . . . 62.14 112.016 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.486 HG22 ' HD2' ' A' ' 71' ' ' LYS . 73.9 mt -60.15 -53.06 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 108.805 -0.813 . . . . 72.31 108.805 172.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 t -54.96 -36.25 65.13 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.6 1.16 . . . . 61.3 112.36 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -76.0 -33.26 59.69 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.564 0.745 . . . . 73.23 112.268 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.588 HD22 HD21 ' A' ' 24' ' ' LEU . 69.7 mt -88.04 -6.08 58.14 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 122.825 0.45 . . . . 73.2 112.023 -177.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.486 ' HD2' HG22 ' A' ' 67' ' ' ILE . 19.1 ptmt -121.48 15.09 11.19 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.765 0.826 . . . . 72.4 110.41 173.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -62.95 133.35 54.49 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.326 0.861 . . . . 64.42 113.326 -163.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.9 -36.46 49.56 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 114.5 -1.227 . . . . 53.4 110.982 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -67.91 -49.28 62.78 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 115.652 -0.704 . . . . 72.13 110.943 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -115.79 90.13 26.0 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.955 0.902 . . . . 62.31 109.746 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.72 -29.47 29.28 Favored 'Trans proline' 0 C--N 1.374 1.915 0 C-N-CA 122.35 2.033 . . . . 75.24 111.373 171.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.588 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 13.9 m-20 -70.36 -19.86 63.01 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.436 -0.802 . . . . 74.04 112.311 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 100' ' ' MET . 26.8 tp -60.22 -54.78 41.78 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.209 0.604 . . . . 63.4 111.776 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -68.3 -41.41 80.96 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.372 0.669 . . . . 72.33 111.474 172.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.588 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 52.4 ttt180 -56.81 -41.35 77.62 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.586 1.154 . . . . 72.2 112.478 -177.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -65.03 -40.64 95.15 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.308 0.643 . . . . 73.51 111.418 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.419 HG21 HG12 ' A' ' 92' ' ' ILE . 40.6 t -67.56 -42.63 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.058 0.543 . . . . 62.3 110.544 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 73.0 mt -68.87 -28.67 66.92 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 115.217 -0.901 . . . . 64.34 111.562 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.1 t -82.45 -15.87 50.98 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.432 0.693 . . . . 51.32 111.483 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.07 2.34 80.84 Favored Glycine 0 CA--C 1.538 1.484 0 CA-C-O 119.343 -0.698 . . . . 51.22 114.332 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.61 -53.15 60.9 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.95 0.9 . . . . 51.41 111.659 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -101.01 123.02 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 108.529 -0.915 . . . . 74.33 108.529 168.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.2 p -70.58 145.96 93.24 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 123.175 0.59 . . . . 71.34 111.444 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.445 ' HA ' HG22 ' A' ' 92' ' ' ILE . 62.8 Cg_exo -47.44 -34.16 18.8 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 124.008 3.139 . . . . 71.35 115.802 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.82 -46.66 77.75 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.01 0.524 . . . . 71.51 110.856 176.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -63.04 -48.28 79.38 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.877 0.871 . . . . 53.43 111.545 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.445 HG22 ' HA ' ' A' ' 89' ' ' PRO . 10.6 tp -71.0 -11.35 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 112.177 0.436 . . . . 72.24 112.177 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.24 -34.36 28.85 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.317 0.647 . . . . 75.1 112.151 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.4 m -109.16 -22.84 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 113.529 0.937 . . . . 75.03 113.529 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 38.7 ttp -70.34 131.56 44.33 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.973 0.909 . . . . 62.53 111.169 -176.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.7 p -70.61 164.08 25.65 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.08 0.552 . . . . 74.4 112.314 -173.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 87.9 p -57.45 -43.48 84.0 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.432 0.901 . . . . 52.2 113.432 -169.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -64.48 -49.42 71.45 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.708 0.403 . . . . 75.22 111.314 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -57.56 -45.48 85.1 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.044 0.538 . . . . 74.22 111.247 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.54 ' HB3' HD11 ' A' ' 78' ' ' LEU . 65.0 mtm . . . . . 0 N--CA 1.481 1.099 0 C-N-CA 123.776 0.831 . . . . 55.54 111.944 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.049 0 N-CA-C 113.403 0.89 . . . . 54.35 113.403 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.665 HG11 HG22 ' A' ' 55' ' ' THR . 58.6 t -58.54 -57.66 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 123.632 0.773 . . . . 70.41 112.172 174.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 ptm85 -68.15 -30.97 70.22 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.446 0.698 . . . . 64.4 111.991 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.439 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 38.2 t-20 -65.31 -44.08 88.98 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.037 0.535 . . . . 75.0 109.703 173.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -64.05 -36.44 84.0 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.958 0.903 . . . . 53.35 111.43 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.0 t -59.96 -53.51 56.99 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.587 0.755 . . . . 63.11 111.864 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -64.94 -31.67 73.01 Favored 'General case' 0 CA--C 1.556 1.179 0 O-C-N 123.138 0.274 . . . . 72.11 111.366 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 37.7 mm-40 -63.17 -40.94 98.98 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 122.792 0.437 . . . . 73.45 111.913 173.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 73.8 mtm -72.34 -38.0 68.7 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.172 0.589 . . . . 72.2 111.723 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.28 -41.69 85.06 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.73 0.412 . . . . 60.45 110.965 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.462 HG23 ' SG ' ' A' ' 37' ' ' CYS . 96.8 m -65.27 -31.74 73.04 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.296 0.638 . . . . 71.03 111.108 174.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.528 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -59.19 -37.65 77.92 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.247 0.619 . . . . 71.22 111.622 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.656 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -72.56 -31.05 64.95 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.618 0.767 . . . . 74.21 112.065 174.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.9 mt -82.37 -19.51 39.07 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.284 0.634 . . . . 74.34 112.205 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.528 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 8.3 pt20 -109.79 -4.18 16.23 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.489 0.715 . . . . 74.52 112.484 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 t -56.8 -33.29 66.54 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.655 0.741 . . . . 62.2 111.373 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -112.93 159.92 18.59 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.452 1.101 . . . . 54.13 108.813 163.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -82.06 44.09 0.83 Allowed 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.391 0.615 . . . . 74.42 110.41 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -72.45 -50.79 23.61 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.952 1.301 . . . . 75.42 110.617 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -60.77 -26.52 67.3 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.79 -0.641 . . . . 63.41 112.187 175.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -72.76 -41.98 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.234 0.614 . . . . 60.54 110.24 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.05 77.08 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.668 0.787 . . . . 73.32 111.893 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.9 mt -84.7 -22.53 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.402 0 C-N-CA 124.526 1.13 . . . . 74.41 111.648 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.74 50.46 9.15 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 113.696 0.238 . . . . 53.23 113.696 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.01 137.25 34.5 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.084 0.953 . . . . 43.45 110.858 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.14 103.57 8.16 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.3 0.64 . . . . 53.22 110.492 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' SG ' HG23 ' A' ' 21' ' ' THR . 16.2 p -66.84 -21.05 66.04 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.456 0.91 . . . . 75.41 113.456 -175.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -33.63 72.29 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.088 0.773 . . . . 61.12 113.088 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -84.33 -26.7 28.29 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.942 0.497 . . . . 62.3 111.749 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.4 -38.42 74.64 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.678 0.391 . . . . 62.44 111.498 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -62.56 -35.04 78.2 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.815 0.846 . . . . 54.15 111.687 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.27 -31.13 69.93 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.15 0.98 . . . . 73.24 112.201 173.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.511 ' HB3' ' HB2' ' A' ' 89' ' ' PRO . 34.9 tt0 -78.68 -24.35 45.13 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 112.755 0.65 . . . . 71.53 112.755 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.29 -44.36 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.112 -0.993 . . . . 72.32 108.632 163.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.54 -49.15 78.45 Favored 'General case' 0 CA--C 1.554 1.135 0 C-N-CA 124.73 1.212 . . . . 63.14 112.95 -175.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -50.39 -40.91 51.08 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 124.111 0.964 . . . . 70.34 112.024 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.607 ' SG ' ' HG2' ' A' ' 90' ' ' GLN . 65.8 m -77.67 -52.05 9.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.71 0.804 . . . . 64.41 112.182 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.8 tt -69.16 -25.07 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 122.725 0.41 . . . . 53.23 111.64 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.717 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 63.9 t80 -66.78 -26.03 66.76 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.69 0.796 . . . . 75.31 111.758 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -77.99 -38.13 45.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.526 0.73 . . . . 74.12 112.123 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.64 -56.84 3.13 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.881 0.697 . . . . 72.34 112.881 -176.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.516 HG12 ' HB2' ' A' ' 59' ' ' TYR . 1.3 t -115.81 -16.96 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 123.457 0.703 . . . . 75.24 112.239 -171.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.717 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -78.44 22.21 3.32 Favored Glycine 0 N--CA 1.482 1.721 0 N-CA-C 116.329 1.291 . . . . 72.52 116.329 -168.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -84.88 34.18 0.54 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.822 0.849 . . . . 65.31 111.431 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.665 HG22 HG11 ' A' ' 12' ' ' VAL . 27.7 p 53.74 33.62 17.2 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 125.312 1.445 . . . . 54.54 111.644 -169.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -67.26 164.71 17.74 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 125.319 1.448 . . . . 60.22 112.78 -173.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.8 ttm -60.95 -68.63 0.29 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.058 0.943 . . . . 64.42 111.627 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -57.68 -25.05 59.71 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 113.383 0.883 . . . . 70.35 113.383 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.516 ' HB2' HG12 ' A' ' 52' ' ' VAL . 33.3 t80 -51.44 -37.27 47.81 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.82 1.248 . . . . 74.31 113.552 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -68.23 -43.61 77.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.826 0.451 . . . . 75.33 111.807 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.423 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 5.6 m-80 -74.95 -29.68 61.0 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.168 0.587 . . . . 64.23 111.374 173.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -63.38 -42.65 98.83 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.143 0.577 . . . . 71.45 111.524 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.6 t -62.9 -55.12 25.61 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 CA-C-N 115.615 -0.72 . . . . 54.11 110.821 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.9 ptt180 -66.86 -30.17 70.27 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 112.643 0.608 . . . . 73.32 112.643 -174.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.0 m -72.63 -33.15 66.43 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 122.789 0.436 . . . . 64.41 111.625 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -72.37 -38.28 68.57 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.712 0.405 . . . . 74.5 110.587 173.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.656 HG23 ' HB2' ' A' ' 23' ' ' ALA . 95.7 mt -56.51 -42.71 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 124.119 0.967 . . . . 63.33 110.831 170.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.7 t -59.0 -39.03 80.57 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.819 0.847 . . . . 75.04 111.803 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.418 HD22 ' N ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER -73.36 -28.84 62.26 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.069 0.548 . . . . 63.11 112.221 177.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.25 -15.4 60.99 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.4 0.68 . . . . 72.35 112.632 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -120.76 14.04 11.64 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.588 0.755 . . . . 74.41 111.536 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -82.46 149.83 27.38 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.388 0.675 . . . . 73.33 112.464 -170.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.46 -12.34 58.93 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.797 1.036 . . . . 71.21 113.797 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.69 -46.78 65.25 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 118.283 0.492 . . . . 74.12 111.223 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -156.01 89.33 2.84 Favored Pre-proline 0 CA--C 1.562 1.44 0 CA-C-N 116.385 -0.37 . . . . 62.22 111.144 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.98 -16.64 15.85 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.847 2.364 . . . . 71.41 112.014 168.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.53 -30.45 68.61 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.107 0.963 . . . . 55.21 111.413 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.47 -51.64 62.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.301 1.04 . . . . 73.31 111.578 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -56.34 -42.79 78.29 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.206 -0.907 . . . . 65.13 110.846 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -63.51 -41.49 98.52 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.386 0.674 . . . . 63.15 111.7 -178.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -61.93 -42.63 99.32 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.429 0.692 . . . . 75.21 111.796 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.2 t -66.64 -39.82 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 C-N-CA 122.952 0.501 . . . . 64.14 111.13 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.99 -33.48 74.71 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.647 0.779 . . . . 74.02 111.898 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.4 m -81.47 -14.11 57.39 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.461 0.704 . . . . 71.2 112.316 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.8 15.84 81.27 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 114.154 0.422 . . . . 60.3 114.154 -177.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.72 -58.83 5.21 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.627 0.771 . . . . 45.03 110.335 174.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.61 118.92 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 106.743 -1.577 . . . . 73.23 106.743 162.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.3 p -71.91 145.12 88.78 Favored Pre-proline 0 N--CA 1.48 1.046 0 N-CA-C 110.246 -0.279 . . . . 74.14 110.246 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.511 ' HB2' ' HB3' ' A' ' 43' ' ' GLN . 74.2 Cg_exo -53.97 -21.15 20.26 Favored 'Trans proline' 0 CA--C 1.565 2.042 0 C-N-CA 122.583 2.188 . . . . 73.52 114.283 173.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.607 ' HG2' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -67.36 -46.91 71.98 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.58 0.752 . . . . 72.11 109.628 172.547 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.67 -50.63 71.71 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.456 0.703 . . . . 75.02 111.638 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.507 HG22 ' HA ' ' A' ' 89' ' ' PRO . 8.2 tp -61.92 -30.42 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 112.571 0.582 . . . . 73.1 112.571 -170.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.29 75.4 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.584 0.754 . . . . 72.54 112.546 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.4 m -94.27 -19.18 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 123.168 0.587 . . . . 75.04 112.339 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 83.9 mtp -64.25 137.65 58.04 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.485 0.55 . . . . 71.31 112.485 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 100' ' ' MET . 17.2 m -68.09 147.76 51.88 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.182 0.993 . . . . 74.4 110.831 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.1 p -50.84 -45.22 59.54 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.081 0.952 . . . . 61.14 113.562 -175.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.08 -48.21 71.72 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 112.761 0.652 . . . . 74.13 112.761 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.16 -17.06 64.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 112.146 0.425 . . . . 75.4 112.146 -177.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 96' ' ' THR . 39.7 mtm . . . . . 0 CA--C 1.558 1.275 0 CA-C-O 121.053 0.454 . . . . 73.21 111.257 173.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.442 ' HA ' ' HB3' ' A' ' 14' ' ' ASN . . . . . . . . 0 CA--C 1.554 1.112 0 N-CA-C 112.304 0.483 . . . . 52.44 112.304 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.0 t -57.73 -62.18 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.391 0.677 . . . . 65.24 111.277 171.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -33.94 65.92 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.163 0.585 . . . . 74.53 111.382 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 3.1 t-20 -59.34 -56.35 23.24 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.447 0.299 . . . . 74.44 110.754 177.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 19' ' ' MET . 87.0 tttt -61.71 -32.72 72.95 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.129 0.572 . . . . 63.31 111.717 178.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -58.09 -48.25 80.73 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.201 0.6 . . . . 63.44 111.94 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -63.22 -43.48 97.96 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.023 0.529 . . . . 73.02 110.143 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 60.4 mm-40 -58.02 -49.25 77.53 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.117 0.567 . . . . 74.2 112.257 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 24.5 ptt? -75.93 -28.21 57.89 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 113.154 0.798 . . . . 71.52 113.154 -176.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 45' ' ' GLU . 55.4 mt -69.62 -32.79 71.7 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 122.105 -0.372 . . . . 62.34 111.431 169.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.5 m -67.2 -38.55 85.5 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 120.887 0.375 . . . . 72.24 110.288 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -61.3 -35.52 77.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.737 0.815 . . . . 61.3 111.721 176.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.56 -30.98 71.79 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.91 0.884 . . . . 71.32 112.427 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.7 mt -87.34 -30.74 20.59 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.812 0.671 . . . . 62.03 112.812 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.612 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 2.5 pt20 -94.82 -4.44 47.13 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 123.254 0.622 . . . . 74.13 112.215 -176.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -51.79 -34.31 39.27 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 123.717 0.807 . . . . 70.5 112.188 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -130.75 173.04 11.32 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.653 1.181 . . . . 65.02 109.735 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -95.08 35.91 1.25 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.272 0.629 . . . . 73.42 112.376 -171.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.57 -52.4 52.57 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.56 0.744 . . . . 51.12 109.882 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.497 ' HB3' HD22 ' A' ' 83' ' ' LEU . 13.2 p80 -63.68 -24.95 67.99 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 114.954 -1.021 . . . . 74.22 112.156 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -71.53 -48.89 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 122.767 0.427 . . . . 71.42 110.482 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.95 -34.58 74.95 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 115.565 -0.743 . . . . 55.31 111.938 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -81.19 -34.41 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 C-N-CA 123.796 0.838 . . . . 73.03 111.65 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.09 18.81 41.7 Favored Glycine 0 N--CA 1.481 1.693 0 C-N-CA 122.942 0.306 . . . . 74.52 113.098 -174.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.581 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -84.74 134.95 34.32 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.601 1.161 . . . . 63.21 112.416 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 7.0 m-20 -82.43 97.26 8.29 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.614 0.766 . . . . 70.53 109.519 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.3 p -62.2 -35.34 78.56 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.211 0.819 . . . . 52.02 113.211 -169.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.14 -51.12 70.42 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.371 0.668 . . . . 61.12 111.832 173.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 60.1 ttt180 -57.72 -45.58 85.57 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 114.633 -1.167 . . . . 73.21 111.739 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.581 HD11 ' HB1' ' A' ' 35' ' ' ALA . 58.8 mt -65.44 -46.32 80.35 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.382 0.673 . . . . 71.3 111.244 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -56.69 -38.7 72.62 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.103 0.961 . . . . 73.44 112.145 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.08 76.43 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.571 0.749 . . . . 70.42 111.892 176.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 16.2 mm-40 -77.07 -32.4 56.77 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.156 0.583 . . . . 61.41 111.002 177.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.31 -53.37 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-O 121.386 0.612 . . . . 73.03 110.923 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.489 ' HA ' HG22 ' A' ' 48' ' ' ILE . 3.1 pp20? -69.79 -31.46 69.39 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.504 -0.771 . . . . 73.22 112.992 -171.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -31.71 70.44 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 111.874 0.324 . . . . 74.42 111.874 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 90' ' ' GLN . 83.4 m -67.11 -49.54 64.59 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.169 0.588 . . . . 75.24 111.583 174.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.504 HD11 ' HG3' ' A' ' 62' ' ' ARG . 9.3 tt -71.99 -23.61 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 122.834 0.454 . . . . 74.51 111.383 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.681 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 74.5 t80 -58.91 -38.46 78.97 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.651 0.78 . . . . 74.45 111.501 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -74.13 -27.39 60.83 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.865 -0.607 . . . . 71.02 112.384 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -88.98 -56.5 3.26 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 122.753 0.421 . . . . 72.41 112.117 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -115.17 -22.28 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 C-N-CA 123.512 0.725 . . . . 74.34 112.218 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.681 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -79.06 28.01 2.27 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 117.097 1.599 . . . . 22.24 117.097 -165.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.618 HD22 ' H ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -79.31 49.68 1.0 Allowed 'General case' 0 CA--C 1.568 1.65 0 CA-C-N 117.605 0.702 . . . . 72.22 111.253 169.386 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p 41.26 70.92 0.23 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.784 1.633 . . . . 73.12 112.395 -173.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -117.04 163.06 16.81 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.019 0.527 . . . . 72.21 112.26 -164.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 70.2 mtp -60.39 -63.99 1.11 Allowed 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 125.16 1.384 . . . . 72.34 112.088 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -25.86 68.55 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 112.464 0.542 . . . . 74.44 112.464 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -52.96 -39.42 62.93 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.862 0.865 . . . . 71.53 112.822 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -60.89 -48.76 80.35 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.909 0.484 . . . . 71.23 111.869 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.42 -35.15 79.6 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.509 0.723 . . . . 71.22 111.508 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.504 ' HG3' HD11 ' A' ' 48' ' ' ILE . 6.4 tpm_? -69.91 -37.9 76.09 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.153 0.981 . . . . 74.11 111.486 -176.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.5 t -72.86 -45.08 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 123.434 0.693 . . . . 74.34 111.917 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.7 ptm180 -69.57 -28.09 65.68 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 112.162 0.43 . . . . 71.52 112.162 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -66.42 -29.29 69.41 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.001 0.52 . . . . 72.41 111.967 170.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -65.69 -53.64 38.32 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 110.044 -0.354 . . . . 74.23 110.044 168.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 64' ' ' ARG . 78.0 mt -53.18 -45.7 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 C-N-CA 124.759 1.224 . . . . 75.23 112.693 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.6 p -59.77 -50.97 71.74 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.084 0.954 . . . . 34.42 111.827 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.45 -27.17 62.15 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.683 0.793 . . . . 72.2 112.905 -177.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.96 -43.39 88.07 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.619 0.368 . . . . 72.52 111.149 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -91.95 2.38 56.58 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 112.602 0.593 . . . . 71.23 112.602 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -78.18 148.32 34.11 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.089 0.556 . . . . 72.11 111.669 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.09 -14.19 51.07 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 113.586 0.958 . . . . 31.32 113.586 -173.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.17 -27.27 63.42 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 117.937 0.335 . . . . 74.34 111.729 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -144.67 87.88 7.31 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 122.817 0.447 . . . . 72.11 109.823 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.38 -34.37 35.0 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.974 2.449 . . . . 41.22 111.654 171.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.584 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 5.7 m-20 -68.82 -15.53 63.53 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.146 -0.934 . . . . 74.03 113.091 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.88 -52.17 66.19 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.719 0.407 . . . . 64.3 111.472 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -69.53 -45.52 68.63 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.691 0.396 . . . . 74.2 110.854 172.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.584 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 38.8 ttp180 -63.97 -30.45 71.53 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.295 1.038 . . . . 71.11 113.237 -170.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.62 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 94.8 m-20 -74.93 -33.85 62.02 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.227 0.611 . . . . 64.24 111.2 176.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.5 -37.35 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 121.425 0.631 . . . . 71.21 110.466 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 30' ' ' HIS . 67.8 mt -70.72 -37.34 73.51 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-N 115.114 -0.948 . . . . 71.32 111.689 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 26.5 p -85.98 -7.53 58.59 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 112.129 0.418 . . . . 72.31 112.129 177.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.33 11.98 82.68 Favored Glycine 0 C--N 1.35 1.36 0 N-CA-C 114.613 0.605 . . . . 64.55 114.613 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.74 -55.0 17.03 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.196 0.598 . . . . 72.25 109.995 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 74.3 mt -89.87 129.99 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 108.165 -1.05 . . . . 62.33 108.165 163.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.1 p -78.1 145.61 69.64 Favored Pre-proline 0 N--CA 1.482 1.136 0 O-C-N 122.178 -0.326 . . . . 71.41 110.211 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -51.48 -26.13 20.94 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 123.19 2.594 . . . . 63.54 114.89 176.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.439 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 1.6 tm0? -73.15 -44.77 59.56 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.095 0.558 . . . . 63.22 111.032 175.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -57.92 -56.65 19.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.409 0.683 . . . . 72.11 111.815 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.7 tp -57.43 -30.09 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 112.634 0.605 . . . . 71.14 112.634 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.95 80.46 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.466 0.706 . . . . 63.23 112.139 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.2 m -98.54 -11.64 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.479 0 N-CA-C 113.043 0.756 . . . . 34.4 113.043 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.6 mtp -69.91 127.02 31.43 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.808 0.843 . . . . 61.41 111.218 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.3 t -75.19 177.31 6.57 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.849 0.46 . . . . 63.13 111.983 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.8 p -59.06 -36.48 75.13 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.953 0.901 . . . . 71.13 111.748 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.21 -47.9 84.0 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 122.947 0.499 . . . . 72.11 110.697 173.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -64.52 -30.97 72.0 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.782 0.833 . . . . 65.53 113.076 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 CA--C 1.56 1.327 0 N-CA-C 112.208 0.447 . . . . 72.1 112.208 175.91 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.187 0 N-CA-C 112.166 0.432 . . . . 31.01 112.166 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.86 -52.08 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.247 0.619 . . . . 75.23 111.653 173.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -63.08 -46.91 85.17 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.437 0.295 . . . . 64.43 111.681 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 47.5 t-20 -57.59 -47.99 80.63 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.511 0.724 . . . . 64.22 110.578 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.21 -40.02 92.4 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.178 0.991 . . . . 73.22 112.013 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.1 m -71.6 -31.66 67.17 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.026 0.53 . . . . 64.22 112.209 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -67.82 -37.31 81.8 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.463 0.305 . . . . 74.04 110.427 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 20.2 mm-40 -62.62 -33.54 75.22 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.152 -0.476 . . . . 72.13 111.344 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.405 ' HB2' ' HE3' ' A' ' 19' ' ' MET . 50.7 mtm -75.04 -34.94 61.92 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 123.101 0.56 . . . . 61.01 111.998 174.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.14 -41.08 95.13 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.657 0.783 . . . . 45.44 111.179 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -66.23 -42.01 89.24 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.752 0.821 . . . . 24.02 109.801 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -29.11 69.24 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.333 1.053 . . . . 65.1 112.6 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -69.1 -30.5 68.81 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.25 0.62 . . . . 64.12 111.89 173.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HB3' HD21 ' A' ' 83' ' ' LEU . 66.0 mt -86.7 -26.58 24.19 Favored 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 123.938 0.895 . . . . 64.21 112.381 178.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -111.19 29.48 7.76 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 124.667 1.187 . . . . 74.44 109.738 175.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 t -57.68 -33.66 68.59 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.923 0.889 . . . . 74.14 112.174 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -127.98 -88.99 0.54 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 107.802 -1.184 . . . . 62.14 107.802 158.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -147.68 35.58 0.86 Allowed 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.344 1.058 . . . . 73.44 109.869 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.74 -38.76 76.94 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.015 -0.993 . . . . 74.41 112.572 -170.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -70.41 -24.82 62.99 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 111.863 0.32 . . . . 71.12 111.863 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.0 t -73.81 -33.14 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 124.147 0.979 . . . . 64.12 110.604 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.05 -31.53 61.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.137 0.975 . . . . 62.54 112.849 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.515 HG21 ' HA ' ' A' ' 84' ' ' CYS . 4.5 mp -100.74 -40.5 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 123.28 0.632 . . . . 75.51 110.208 175.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.73 18.89 11.74 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-N 115.802 -0.635 . . . . 55.41 113.826 -177.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -91.31 134.97 34.14 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.378 0.671 . . . . 45.11 111.309 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.574 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 11.4 m-20 -76.56 106.98 8.52 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.179 0.592 . . . . 62.14 111.357 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 p -64.41 -23.63 67.35 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.338 1.236 . . . . 74.02 114.338 -171.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.89 -40.24 63.34 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 113.212 0.819 . . . . 61.35 113.212 -177.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.574 ' HE ' ' HB2' ' A' ' 36' ' ' ASP . 30.2 ptt180 -74.83 -28.99 60.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.932 -0.48 . . . . 75.12 110.855 175.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.441 HD11 ' HB1' ' A' ' 35' ' ' ALA . 86.2 mt -67.26 -53.39 30.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.828 0.451 . . . . 74.31 110.932 175.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.8 p -54.39 -38.19 65.89 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.123 0.969 . . . . 72.33 112.346 -176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.04 93.03 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 123.971 0.908 . . . . 61.22 112.009 175.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -70.4 -42.72 71.28 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.778 0.831 . . . . 71.31 111.989 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -59.61 -45.17 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.239 0.615 . . . . 73.41 110.154 172.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.59 -42.76 98.24 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.394 0.678 . . . . 74.32 112.08 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.59 -43.8 72.45 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.516 0.726 . . . . 65.22 112.233 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.8 m -73.84 -35.93 64.84 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.642 -0.708 . . . . 63.32 112.581 -175.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.4 tt -80.42 -26.67 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 O-C-N 122.142 -0.349 . . . . 71.33 111.083 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.89 -25.23 64.92 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 124.883 1.273 . . . . 74.43 113.025 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -51.09 -55.33 18.21 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.517 1.127 . . . . 72.02 112.316 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.94 -52.43 4.86 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.609 0.719 . . . . 72.05 111.608 172.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.442 HG12 ' HD1' ' A' ' 59' ' ' TYR . 71.2 t -70.39 -32.71 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 114.799 -1.091 . . . . 74.31 113.802 -166.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.83 30.43 1.07 Allowed Glycine 0 N--CA 1.483 1.79 0 N-CA-C 117.089 1.596 . . . . 43.23 117.089 -169.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.56 5.62 27.0 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.274 1.03 . . . . 74.34 112.961 175.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 49.4 p 67.09 -57.33 0.42 Allowed 'General case' 0 N--CA 1.507 2.401 0 C-N-CA 126.8 2.04 . . . . 74.42 113.857 -177.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.61 129.83 43.88 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 124.304 1.041 . . . . 75.31 112.912 177.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.3 tmm? 58.11 -79.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 125.903 1.681 . . . . 72.53 114.08 172.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -59.98 -38.93 84.0 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.91 0.884 . . . . 73.11 113.097 -171.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.442 ' HD1' HG12 ' A' ' 52' ' ' VAL . 34.3 t80 -70.74 -31.59 68.46 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.671 0.388 . . . . 73.22 111.672 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 9.4 mmpt? -72.69 -52.46 15.12 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 122.282 -0.261 . . . . 74.13 111.54 172.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.48 HD22 ' N ' ' A' ' 61' ' ' ASN . 0.7 OUTLIER -77.41 -51.27 11.07 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.911 0.884 . . . . 74.25 112.854 -169.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -76.8 -27.57 55.28 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 112.568 0.581 . . . . 71.05 112.568 -173.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.2 t -72.14 -48.03 51.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 118.829 -0.605 . . . . 63.25 110.93 174.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -62.45 -35.1 78.21 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-N 118.454 0.57 . . . . 71.21 111.013 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -63.78 -44.4 93.48 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.452 0.701 . . . . 70.3 111.428 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.556 ' HG3' ' SD ' ' A' ' 100' ' ' MET . 17.8 ttm-85 -67.45 -44.24 79.13 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.759 0.423 . . . . 74.12 110.958 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' ' 23' ' ' ALA . 98.3 mt -55.48 -37.42 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 124.423 1.089 . . . . 63.03 111.488 171.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.7 t -64.24 -45.32 88.69 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.214 0.605 . . . . 75.05 111.434 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -66.83 -28.83 68.67 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 122.899 0.48 . . . . 63.22 112.058 175.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.494 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 94.0 mt -72.36 -48.85 38.47 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 122.738 0.415 . . . . 72.4 111.361 176.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.6 ptpt -82.34 4.13 25.1 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 122.796 0.438 . . . . 74.04 112.085 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -70.34 128.58 36.69 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.574 0.75 . . . . 73.52 111.559 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.44 -24.19 60.21 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.37 0.668 . . . . 53.32 112.047 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -74.77 -33.84 62.35 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 122.515 0.326 . . . . 72.13 110.915 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -113.87 81.15 5.69 Favored Pre-proline 0 N--CA 1.49 1.559 0 C-N-CA 123.377 0.671 . . . . 75.43 111.196 172.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.36 -25.74 4.53 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.082 1.855 . . . . 74.22 111.977 167.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.79 -37.68 79.45 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.258 1.023 . . . . 54.3 111.738 -174.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 58.6 tp -53.81 -56.58 16.28 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.432 0.693 . . . . 74.41 111.985 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.494 ' HD3' ' O ' ' A' ' 70' ' ' LEU . 27.9 ptt-85 -71.79 -32.64 67.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.702 0.401 . . . . 72.3 111.33 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.468 ' HD2' HD11 ' A' ' 33' ' ' ILE . 8.6 tpt180 -58.23 -44.73 88.37 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.553 0.741 . . . . 71.42 111.127 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -65.82 -38.43 88.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.625 0.77 . . . . 72.2 111.922 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.1 t -64.27 -46.62 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-O 121.581 0.705 . . . . 73.21 110.936 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 24' ' ' LEU . 69.0 mt -72.06 -24.64 61.55 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.45 1.1 . . . . 74.13 112.098 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.515 ' HA ' HG21 ' A' ' 33' ' ' ILE . 42.9 t -87.33 -13.91 42.26 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.921 0.888 . . . . 61.42 111.55 176.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.32 -4.14 82.45 Favored Glycine 0 CA--C 1.536 1.382 0 CA-C-O 119.608 -0.551 . . . . 74.21 114.29 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.24 81.45 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.58 0.752 . . . . 72.03 111.373 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 73.9 mt -89.16 130.95 37.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 108.934 -0.765 . . . . 33.24 108.934 165.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.4 p -80.46 154.67 74.1 Favored Pre-proline 0 N--CA 1.487 1.376 0 C-N-CA 123.049 0.54 . . . . 71.11 111.238 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -47.46 -39.85 28.94 Favored 'Trans proline' 0 C--N 1.384 2.427 0 C-N-CA 123.671 2.914 . . . . 41.12 115.339 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -77.07 -39.46 49.67 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.35 0.5 . . . . 65.52 112.35 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' A' ' 95' ' ' MET . 61.3 tt0 -57.21 -51.42 69.42 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.645 0.778 . . . . 71.52 112.062 -174.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.4 tp -61.8 -37.95 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 123.348 0.659 . . . . 70.03 112.438 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.42 -39.72 62.43 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.502 0.721 . . . . 71.3 112.942 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.3 m -85.02 -8.3 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 123.67 0.788 . . . . 74.13 112.032 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 91' ' ' GLN . 39.9 ttp -72.85 150.18 42.89 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.58 0.752 . . . . 71.1 112.725 -169.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.9 m -62.22 147.96 46.23 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.305 1.042 . . . . 62.12 111.782 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.1 t -59.46 -41.44 89.72 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.914 0.886 . . . . 42.24 111.887 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -55.76 -42.11 74.97 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.725 0.81 . . . . 45.41 111.717 174.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.418 ' HB2' ' HG2' ' A' ' 95' ' ' MET . 43.2 mt-10 -71.86 -25.35 61.92 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.075 -0.511 . . . . 74.24 112.375 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.556 ' SD ' ' HG3' ' A' ' 66' ' ' ARG . 52.1 mtm . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.106 0.479 . . . . 65.41 110.919 173.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.964 0 CA-C-O 120.553 0.216 . . . . 52.13 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.0 t -70.49 -63.67 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.14 0.576 . . . . 71.52 110.693 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -74.68 -44.42 50.26 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 115.764 -0.653 . . . . 64.12 112.589 -175.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -62.73 -39.86 95.39 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 112.084 0.402 . . . . 71.21 112.084 -173.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.83 -33.96 76.76 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.022 -0.535 . . . . 74.34 111.126 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 71.5 m -61.67 -41.96 98.27 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.832 0.453 . . . . 74.34 111.574 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -58.65 -49.0 79.13 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.32 0.648 . . . . 73.44 110.624 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.68 -25.92 67.55 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.195 0.813 . . . . 72.11 113.195 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.1 mtm -75.54 -34.46 60.75 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 123.236 0.615 . . . . 74.24 112.128 171.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 91.7 mt -69.35 -34.44 74.61 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.061 0.458 . . . . 71.4 110.422 173.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -66.45 -43.71 84.81 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.857 0.863 . . . . 52.43 109.649 171.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.38 70.31 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.377 1.071 . . . . 75.03 112.323 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -60.62 -42.61 97.2 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.625 0.726 . . . . 71.31 111.563 171.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 76.0 mt -82.28 -19.26 39.85 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 114.969 -1.014 . . . . 70.22 112.856 -175.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -122.48 20.61 10.35 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 123.519 0.728 . . . . 65.32 111.57 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.431 HG21 ' HB2' ' A' ' 71' ' ' LYS . 13.7 t -59.46 -30.62 68.64 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 123.571 0.748 . . . . 73.45 112.161 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -111.07 -89.17 0.5 Allowed 'General case' 0 CA--C 1.557 1.245 0 N-CA-C 107.708 -1.219 . . . . 54.12 107.708 166.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -165.93 40.55 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.222 1.809 . . . . 75.14 107.632 168.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.93 -56.0 26.27 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.692 0.797 . . . . 74.31 112.516 -166.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.659 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 20.2 m-70 -76.82 -24.21 52.77 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 112.62 0.6 . . . . 75.24 112.62 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.68 -32.9 57.15 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 0 C-N-CA 124.385 1.074 . . . . 75.51 111.632 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.67 -48.08 66.75 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.55 1.14 . . . . 71.53 113.048 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.641 HD12 HD22 ' A' ' 83' ' ' LEU . 58.9 mt -91.77 -13.84 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.508 0.723 . . . . 71.14 111.139 178.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.58 22.25 34.68 Favored Glycine 0 N--CA 1.48 1.583 0 O-C-N 122.042 -0.411 . . . . 74.43 113.674 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.52 113.33 21.15 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.51 0.724 . . . . 62.14 110.342 175.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.38 107.58 0.51 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.196 0.599 . . . . 73.4 111.688 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 30' ' ' HIS . 57.0 m -56.69 -34.56 67.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.943 0.897 . . . . 63.12 112.107 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.7 -45.04 88.28 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.627 1.171 . . . . 73.12 113.666 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -69.13 -30.77 69.09 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 120.963 0.411 . . . . 73.54 111.194 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.19 -55.79 12.64 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.595 0.758 . . . . 72.34 109.439 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -59.04 -30.15 67.81 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.415 1.486 . . . . 42.31 113.447 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.37 93.62 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.259 0.624 . . . . 74.45 111.188 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.455 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 97.3 mt-30 -76.74 -34.74 58.06 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.826 -0.625 . . . . 63.53 112.016 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.0 -45.01 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 122.863 0.465 . . . . 63.31 109.887 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 49' ' ' PHE . 36.1 tt0 -58.89 -54.0 52.09 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.823 0.849 . . . . 74.34 111.492 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 71.4 mm-40 -55.49 -47.34 76.32 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 112.765 0.654 . . . . 73.43 112.765 -177.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.527 ' SG ' ' HG2' ' A' ' 90' ' ' GLN . 64.0 m -67.69 -40.16 84.37 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.457 0.703 . . . . 72.54 112.587 -175.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' A' ' 62' ' ' ARG . 14.4 tt -76.34 -25.38 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 120.683 0.277 . . . . 73.35 110.789 174.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.626 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 24.1 t80 -71.89 -35.89 69.88 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.499 0.72 . . . . 60.21 111.452 -177.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 15.9 mmp_? -58.18 -51.77 68.33 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.263 0.625 . . . . 74.52 111.691 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -85.63 -55.78 3.82 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.471 0.709 . . . . 73.0 112.103 -174.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 59' ' ' TYR . 21.4 t -96.12 -38.29 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 123.275 0.63 . . . . 75.35 111.982 -172.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.626 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -79.57 32.78 2.1 Favored Glycine 0 C--N 1.342 0.915 0 N-CA-C 116.381 1.312 . . . . 60.43 116.381 -168.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -76.84 38.9 0.21 Allowed 'General case' 0 CA--C 1.573 1.841 0 CA-C-N 117.681 0.741 . . . . 73.02 111.898 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.3 p 38.16 72.01 0.14 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 125.755 1.622 . . . . 63.14 112.648 -172.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -139.91 171.92 13.51 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.348 -0.842 . . . . 74.24 110.481 -172.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -55.31 -44.12 75.49 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 113.399 0.889 . . . . 74.22 113.399 -175.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -29.63 67.17 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 112.801 0.667 . . . . 54.14 112.801 -177.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.541 ' HA ' HG12 ' A' ' 52' ' ' VAL . 8.3 t80 -54.03 -36.78 63.39 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 124.424 1.09 . . . . 75.11 113.78 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -64.49 -54.66 28.9 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 111.875 0.324 . . . . 73.04 111.875 -178.248 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -70.96 -29.02 64.91 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.892 0.477 . . . . 75.11 112.026 -175.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HB3' HD11 ' A' ' 48' ' ' ILE . 10.3 mpt_? -69.01 -40.29 78.77 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.552 0.341 . . . . 74.02 111.251 176.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 67' ' ' ILE . 54.1 t -64.14 -47.75 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 O-C-N 123.183 0.302 . . . . 75.34 110.379 171.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.596 ' HA ' HD12 ' A' ' 67' ' ' ILE . 68.9 mtp180 -65.65 -30.68 71.41 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.267 0.627 . . . . 61.53 112.634 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.1 t -74.79 -39.94 61.43 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.058 0.543 . . . . 53.01 110.225 174.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.423 ' NH1' ' SD ' ' A' ' 100' ' ' MET . 5.3 tpm_? -57.76 -42.33 83.8 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.515 0.726 . . . . 64.11 110.565 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 64' ' ' ARG . 62.6 mt -61.62 -54.69 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.975 0.91 . . . . 75.22 110.528 173.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 t -52.62 -43.19 65.23 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 125.101 1.36 . . . . 72.31 113.046 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -75.06 -27.63 60.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.677 0.791 . . . . 74.44 112.283 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.554 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 79.2 mt -83.59 -10.95 57.91 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.019 0.528 . . . . 73.24 111.996 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.431 ' HB2' HG21 ' A' ' 26' ' ' THR . 14.3 ptmm? -121.95 7.57 9.84 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.426 0.691 . . . . 72.34 111.896 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.38 134.72 49.37 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 112.64 0.607 . . . . 73.11 112.64 -170.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.02 -39.1 56.42 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.879 0.872 . . . . 65.32 111.616 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -71.71 -30.98 66.25 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.04 0.536 . . . . 75.51 111.276 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -124.33 78.61 60.99 Favored Pre-proline 0 CA--C 1.561 1.388 0 C-N-CA 123.746 0.818 . . . . 73.43 110.073 174.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -88.04 -3.98 7.01 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 123.257 2.638 . . . . 73.12 112.697 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.5 -43.42 98.87 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.685 0.794 . . . . 64.2 110.303 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 100' ' ' MET . 47.4 tp -57.72 -41.88 82.69 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.759 0.824 . . . . 70.34 112.382 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 17.1 mtp180 -52.85 -49.58 65.49 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.743 0.817 . . . . 73.2 110.946 175.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -66.26 -39.76 89.67 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 125.137 1.375 . . . . 73.15 112.815 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.587 ' HB3' HD13 ' A' ' 87' ' ' ILE . 6.5 m-20 -69.81 -36.86 76.01 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.814 0.846 . . . . 74.42 112.095 -176.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.6 t -83.22 -24.05 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 C-N-CA 123.228 0.611 . . . . 72.53 110.628 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -59.03 -55.37 36.03 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.425 1.09 . . . . 64.3 111.222 177.373 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 28.8 p -80.88 -6.36 58.53 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.396 -0.82 . . . . 75.24 112.036 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.33 29.21 50.66 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 114.245 0.458 . . . . 70.12 114.245 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.89 -40.9 78.93 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.005 0.522 . . . . 65.02 110.951 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.587 HD13 ' HB3' ' A' ' 81' ' ' ASN . 2.3 mp -100.75 133.14 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.852 0.861 . . . . 73.11 108.95 171.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.4 p -78.41 148.4 73.8 Favored Pre-proline 0 N--CA 1.487 1.412 0 C-N-CA 122.581 0.352 . . . . 72.25 111.044 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 43' ' ' GLN . 71.5 Cg_exo -55.05 -20.73 24.55 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 123.411 2.74 . . . . 71.25 115.123 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.527 ' HG2' ' SG ' ' A' ' 47' ' ' CYS . 22.6 tm0? -74.09 -47.92 33.23 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.48 0.312 . . . . 70.12 110.288 174.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -62.25 -49.18 76.72 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 115.989 -0.551 . . . . 71.31 111.644 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.455 HD13 HD11 ' A' ' 78' ' ' LEU . 8.7 tp -57.84 -29.3 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.501 0 N-CA-C 112.764 0.654 . . . . 72.32 112.764 -175.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.72 -32.89 73.01 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.361 0.664 . . . . 72.42 112.258 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.6 m -106.47 -7.16 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 113.398 0.888 . . . . 63.24 113.398 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 88.5 mtp -73.93 132.2 42.21 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 112.409 0.522 . . . . 71.43 112.409 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.5 ' HB ' ' HG2' ' A' ' 99' ' ' GLU . 16.6 m -70.39 161.8 29.81 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.861 1.264 . . . . 70.44 110.996 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.6 p -50.04 -45.23 52.01 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.401 1.081 . . . . 72.1 113.278 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.48 -32.55 71.51 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.379 0.671 . . . . 65.22 112.64 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.5 ' HG2' ' HB ' ' A' ' 96' ' ' THR . 9.6 mm-40 -68.37 -38.71 81.65 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.77 0.795 . . . . 74.22 110.387 177.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.513 ' HB3' HD22 ' A' ' 78' ' ' LEU . 74.4 mtm . . . . . 0 N--CA 1.479 0.977 0 CA-C-N 114.716 -1.129 . . . . 53.03 112.769 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 110.321 -0.252 . . . . 73.34 110.321 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -75.34 -41.56 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 113.458 0.91 . . . . 71.24 113.458 -162.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -51.27 70.27 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.849 -0.426 . . . . 71.54 109.849 172.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.425 HD22 ' NH2' ' A' ' 17' ' ' ARG . 28.8 t-20 -59.55 -32.96 70.82 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.305 1.042 . . . . 72.32 112.019 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -73.52 -33.06 64.58 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.336 0.655 . . . . 53.41 111.155 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.1 m -71.82 -39.46 69.77 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.349 -0.387 . . . . 73.53 110.614 173.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.425 ' NH2' HD22 ' A' ' 14' ' ' ASN . 41.9 ttp180 -62.13 -46.92 86.86 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.98 0.512 . . . . 74.45 111.54 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.81 -35.45 74.71 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 112.145 0.424 . . . . 60.42 112.145 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.8 mtm -74.64 -44.04 52.42 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.145 0.578 . . . . 55.41 112.302 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.54 -48.69 79.87 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.495 0.718 . . . . 52.52 110.976 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.454 HG23 ' SG ' ' A' ' 37' ' ' CYS . 85.7 m -61.11 -36.87 80.86 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.821 1.248 . . . . 73.41 111.817 176.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -30.96 70.92 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.053 0.541 . . . . 71.45 112.16 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.626 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -68.91 -37.06 78.71 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.693 0.397 . . . . 72.31 110.843 170.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.6 HD23 ' HG2' ' A' ' 79' ' ' ARG . 73.3 mt -73.85 -7.68 53.17 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 123.677 0.791 . . . . 53.41 112.022 173.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.482 ' HG2' ' CD2' ' A' ' 30' ' ' HIS . 43.1 mt-30 -120.58 23.5 10.77 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.838 1.255 . . . . 73.11 111.149 173.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.4 HG22 ' HE ' ' A' ' 79' ' ' ARG . 12.1 t -58.84 -30.11 67.43 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.573 0.583 . . . . 74.24 112.573 -176.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -133.59 34.95 3.42 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.011 0.924 . . . . 62.43 109.27 170.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.6 m170 58.32 33.36 23.06 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.908 1.283 . . . . 74.24 111.7 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.92 -45.46 90.3 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.764 1.225 . . . . 74.2 113.208 -163.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.482 ' CD2' ' HG2' ' A' ' 25' ' ' GLN . 2.8 p80 -58.96 -23.49 61.63 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 123.946 0.898 . . . . 71.25 113.203 -176.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.28 -54.43 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.317 0.647 . . . . 74.41 110.594 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.64 69.48 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.554 0.742 . . . . 70.2 112.097 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.0 mt -79.44 -32.05 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 C-N-CA 123.432 0.693 . . . . 74.51 111.493 175.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.5 50.68 5.58 Favored Glycine 0 CA--C 1.535 1.343 0 N-CA-C 113.834 0.294 . . . . 52.23 113.834 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 30' ' ' HIS . . . -135.87 137.1 41.13 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.658 0.783 . . . . 72.02 110.316 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.95 97.83 2.9 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.232 0.539 . . . . 61.33 110.853 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' A' ' 21' ' ' THR . 13.0 p -63.69 -33.42 75.61 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.181 0.992 . . . . 64.14 112.181 -178.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.36 -35.29 80.52 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.68 0.792 . . . . 70.23 112.002 174.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -70.55 -43.61 69.16 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.746 0.818 . . . . 62.41 109.68 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.492 HD12 HD23 ' A' ' 83' ' ' LEU . 74.3 mt -62.87 -45.06 94.32 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.865 -0.607 . . . . 71.42 110.728 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 29.9 t -64.59 -30.63 71.66 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.83 0.852 . . . . 60.13 112.027 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.77 94.39 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.185 0.594 . . . . 53.34 111.805 174.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -73.46 -33.17 64.74 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 115.725 -0.671 . . . . 73.41 110.958 175.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 41' ' ' SER . 91.3 mt -62.48 -39.8 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.908 0.883 . . . . 64.24 111.294 174.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 41' ' ' SER . 46.7 mt-10 -52.67 -49.96 64.22 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.6 0.76 . . . . 75.4 112.407 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -33.31 65.4 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.71 0.404 . . . . 70.43 111.77 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.0 m -70.45 -34.47 72.48 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.425 0.69 . . . . 74.12 112.689 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.441 ' O ' ' HB ' ' A' ' 52' ' ' VAL . 14.9 tt -83.37 -30.38 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 N-CA-C 109.626 -0.509 . . . . 71.33 109.626 175.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -57.94 -25.56 61.1 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.55 1.14 . . . . 74.52 113.002 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -55.41 -68.04 0.23 Allowed 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.046 0.938 . . . . 74.24 112.301 -177.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.87 -32.8 15.89 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.126 0.57 . . . . 71.14 112.135 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.636 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 94.2 t -94.83 -23.31 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 113.537 0.94 . . . . 72.11 113.537 -168.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.04 29.53 1.11 Allowed Glycine 0 CA--C 1.545 1.932 0 N-CA-C 116.467 1.347 . . . . 63.23 116.467 -171.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -74.76 -15.95 60.75 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.857 0.863 . . . . 73.02 112.407 175.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.3 p 55.43 34.14 22.36 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 125.601 1.561 . . . . 74.11 113.261 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -103.52 -53.56 2.76 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 123.757 0.823 . . . . 63.02 112.023 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 42.4 ttm -163.96 -41.14 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.302 1.041 . . . . 65.0 110.539 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.636 ' HD2' ' HA ' ' A' ' 52' ' ' VAL . 38.6 ttmt -53.69 -43.1 68.67 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.292 0.637 . . . . 74.32 110.874 176.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.464 ' HA ' HG12 ' A' ' 52' ' ' VAL . 51.3 t80 -62.39 -33.71 75.29 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.19 0.996 . . . . 65.45 112.946 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 34.7 mmtp -72.71 -55.21 7.13 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 122.4 0.28 . . . . 40.53 111.473 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -70.19 -43.28 71.07 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.648 0.779 . . . . 72.14 111.936 -171.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.407 ' HG2' HG21 ' A' ' 52' ' ' VAL . 11.5 tpt180 -57.97 -46.07 85.73 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.471 0.708 . . . . 73.15 112.25 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.09 -45.58 98.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 C-N-CA 123.085 0.554 . . . . 73.03 111.076 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 9.6 mmm180 -57.32 -48.8 78.02 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.386 0.674 . . . . 70.23 112.291 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 t -67.55 -40.22 84.99 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.402 0.681 . . . . 62.14 111.83 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -47.7 74.28 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.594 0.757 . . . . 74.5 111.571 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.626 HG23 ' HB2' ' A' ' 23' ' ' ALA . 94.3 mt -57.28 -41.92 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 123.753 0.821 . . . . 73.31 111.087 173.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 t -60.77 -41.13 94.92 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 115.58 -0.736 . . . . 74.22 111.888 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -71.34 -29.92 65.56 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.45 0.7 . . . . 70.25 112.418 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.26 -31.37 72.55 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.982 0.513 . . . . 72.3 112.054 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -107.75 0.06 22.05 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.763 0.825 . . . . 62.21 112.052 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.18 146.64 31.67 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.074 0.55 . . . . 72.22 111.974 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.51 -16.91 61.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.402 0.89 . . . . 73.13 113.402 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -75.76 -25.79 56.82 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 117.869 0.304 . . . . 70.2 111.397 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -152.83 68.88 6.94 Favored Pre-proline 0 CA--C 1.568 1.668 0 C-N-CA 123.355 0.662 . . . . 73.04 112.063 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.97 -20.96 11.26 Favored 'Trans proline' 0 C--N 1.383 2.352 0 C-N-CA 122.549 2.166 . . . . 75.45 112.608 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.29 -17.86 61.84 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.794 0.838 . . . . 70.24 111.702 175.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.0 tp -53.96 -53.77 48.24 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.954 0.902 . . . . 64.24 111.345 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.6 ' HG2' HD23 ' A' ' 24' ' ' LEU . 1.8 tmm_? -61.58 -42.56 99.03 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.531 1.132 . . . . 65.23 112.106 176.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -61.73 -45.95 91.72 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.563 0.745 . . . . 64.44 111.559 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -65.48 -32.52 74.17 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.179 0.992 . . . . 74.42 112.754 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.85 -44.87 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-O 121.137 0.494 . . . . 64.44 110.508 174.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.492 HD23 HD12 ' A' ' 40' ' ' LEU . 76.3 mt -70.29 -32.01 69.6 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 115.276 -0.875 . . . . 75.34 111.829 177.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.9 m -81.22 -9.06 59.85 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.648 0.779 . . . . 71.51 112.137 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.8 -1.65 88.48 Favored Glycine 0 CA--C 1.539 1.577 0 N-CA-C 114.256 0.462 . . . . 64.31 114.256 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.47 -30.71 70.49 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.777 0.831 . . . . 71.21 111.694 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 68.5 mt -117.34 127.19 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.169 0.987 . . . . 60.22 108.56 169.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.3 p -75.41 151.82 85.48 Favored Pre-proline 0 N--CA 1.492 1.668 0 CA-C-O 119.547 -0.263 . . . . 74.51 110.938 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -49.41 -31.08 22.29 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 123.342 2.695 . . . . 63.52 114.522 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -74.18 -46.61 41.09 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 119.483 -0.294 . . . . 71.31 111.413 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -54.55 -55.16 32.09 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.278 0.631 . . . . 73.51 111.649 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.2 tp -63.38 -29.83 48.24 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.576 0 N-CA-C 112.746 0.647 . . . . 73.43 112.746 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.95 34.53 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 112.503 0.557 . . . . 75.45 112.503 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.4 m -83.6 -25.41 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 C-N-CA 123.293 0.637 . . . . 65.44 112.189 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 48.4 ttp -67.12 126.11 28.14 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.402 0.681 . . . . 70.13 111.663 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -84.29 170.18 13.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.903 0.481 . . . . 75.33 110.916 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -62.02 -30.64 71.1 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.743 0.817 . . . . 75.14 112.908 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.42 -52.01 67.4 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.09 0.556 . . . . 75.23 111.624 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.57 -43.4 80.71 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.723 0.809 . . . . 74.11 110.783 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 CA--C 1.558 1.282 0 CA-C-N 114.253 -1.34 . . . . 73.42 112.257 -176.227 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 113.036 0.754 . . . . 70.32 113.036 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.04 -49.32 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 113.778 1.029 . . . . 70.1 113.778 -169.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -43.05 67.05 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 122.798 0.439 . . . . 73.12 111.05 -178.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -61.58 -32.54 72.65 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.858 0.463 . . . . 50.24 111.196 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.04 -51.64 63.2 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.871 0.868 . . . . 74.31 110.999 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -60.31 -39.8 88.25 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.347 0.659 . . . . 74.4 111.301 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -63.13 -45.69 90.78 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.475 1.11 . . . . 64.2 111.705 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -64.19 -40.15 95.5 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.845 0.858 . . . . 74.24 111.898 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.478 ' HB3' HD13 ' A' ' 67' ' ' ILE . 59.5 mtm -74.31 -42.01 60.2 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 122.92 0.488 . . . . 64.1 111.977 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.57 -41.91 98.08 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 122.813 0.445 . . . . 74.54 110.791 174.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 93.0 m -62.54 -40.46 96.88 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.262 0.625 . . . . 62.51 111.054 173.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.59 71.95 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.657 0.783 . . . . 75.22 112.137 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.725 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -61.06 -45.32 95.24 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.927 0.491 . . . . 51.41 110.547 170.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 79' ' ' ARG . 42.8 mt -75.24 -18.44 60.1 Favored 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 123.954 0.902 . . . . 73.21 112.28 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.536 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 27.5 mm-40 -86.89 -16.21 36.69 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.073 0.949 . . . . 73.11 113.042 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 23' ' ' ALA . 15.0 t -57.92 -33.18 68.51 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.679 0.622 . . . . 75.13 112.679 -173.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -132.47 157.31 44.95 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.856 0.862 . . . . 73.44 109.732 169.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -87.82 37.41 0.8 Allowed 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 112.843 0.683 . . . . 62.43 112.843 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.89 -40.29 92.5 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 120.964 0.412 . . . . 75.55 110.722 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -60.2 -32.21 70.89 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 115.446 -0.797 . . . . 72.53 112.474 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -74.33 -45.96 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 123.236 0.614 . . . . 74.13 110.61 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.4 94.08 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.243 1.017 . . . . 62.32 112.517 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.512 HG21 ' HA ' ' A' ' 84' ' ' CYS . 81.4 mt -80.55 -34.42 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 C-N-CA 123.925 0.89 . . . . 73.01 110.947 177.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.92 31.02 9.58 Favored Glycine 0 N--CA 1.476 1.339 0 CA-C-N 116.548 -0.296 . . . . 72.12 113.613 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 134.92 54.18 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.777 0.831 . . . . 73.05 111.043 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -76.27 99.88 4.92 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.264 0.554 . . . . 65.12 109.923 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.536 ' SG ' ' NE2' ' A' ' 25' ' ' GLN . 24.5 p -65.49 -23.7 66.97 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.596 0.758 . . . . 74.23 112.987 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.3 -40.72 74.07 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.335 0.654 . . . . 74.42 112.198 -171.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.34 -29.06 42.1 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 117.469 0.122 . . . . 75.23 110.731 176.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 44' ' ' ILE . 95.0 mt -59.07 -41.03 86.99 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.253 0.621 . . . . 64.44 110.953 173.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.7 t -60.58 -42.8 97.43 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.615 1.166 . . . . 65.14 112.461 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.88 -32.15 73.5 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.08 0.552 . . . . 51.15 111.484 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -73.31 -31.84 64.26 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.528 0.731 . . . . 73.31 112.024 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 40' ' ' LEU . 78.4 mt -63.46 -40.7 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 109.246 -0.65 . . . . 65.22 109.246 169.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 48' ' ' ILE . 34.6 tt0 -61.96 -39.63 92.78 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.869 -0.605 . . . . 72.03 111.509 176.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -51.52 -42.97 62.14 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.077 0.551 . . . . 70.53 111.648 175.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.8 -50.38 12.45 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.507 -0.769 . . . . 65.31 112.665 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.487 HG22 ' HA ' ' A' ' 45' ' ' GLU . 13.8 tt -77.52 -26.58 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 123.008 0.523 . . . . 72.54 112.39 -170.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -68.93 -26.65 65.18 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.42 0.688 . . . . 73.03 111.635 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -65.18 -43.97 89.98 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 120.832 0.349 . . . . 75.53 110.973 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -85.71 -54.54 4.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.801 0.84 . . . . 72.22 112.144 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.54 HG13 ' HD3' ' A' ' 58' ' ' LYS . 2.5 t -99.56 -14.42 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 124.221 1.008 . . . . 70.32 112.672 -169.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.1 27.79 1.43 Allowed Glycine 0 N--CA 1.48 1.629 0 N-CA-C 116.555 1.382 . . . . 52.02 116.555 -169.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -78.54 5.94 9.75 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 124.353 1.061 . . . . 74.51 112.224 170.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.2 p 66.54 13.74 9.42 Favored 'General case' 0 N--CA 1.503 2.184 0 C-N-CA 126.209 1.804 . . . . 64.01 114.23 171.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -70.67 170.86 11.44 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.436 0.694 . . . . 64.23 110.436 172.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.9 mmt -57.18 -25.96 59.85 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.587 0.755 . . . . 70.44 112.496 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HD3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -59.11 -36.75 75.71 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.429 0.692 . . . . 65.52 112.003 172.489 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -70.99 -37.4 72.7 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.705 0.802 . . . . 64.43 111.559 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -40.13 62.91 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 122.912 0.485 . . . . 63.33 111.323 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -74.28 -50.81 17.35 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.96 0.904 . . . . 74.11 112.493 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -64.72 -34.86 79.32 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.026 0.531 . . . . 72.3 111.789 -175.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.7 t -67.43 -55.07 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 C-N-CA 122.916 0.486 . . . . 61.2 110.925 174.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.661 ' HA ' HD12 ' A' ' 67' ' ' ILE . 7.5 ptp180 -63.75 -33.23 75.19 Favored 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 112.836 0.68 . . . . 74.22 112.836 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.7 t -67.4 -36.57 81.55 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.356 0.662 . . . . 71.45 111.102 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -73.59 -36.21 65.51 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.031 -0.986 . . . . 73.14 110.962 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.725 HG23 ' HB2' ' A' ' 23' ' ' ALA . 83.9 mt -60.24 -45.12 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 125.06 1.344 . . . . 73.54 111.358 171.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.6 t -60.03 -40.62 89.97 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.453 -0.794 . . . . 53.15 110.663 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.78 -36.54 84.65 Favored 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.842 1.257 . . . . 53.25 112.688 175.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.38 -38.83 88.42 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.192 0.597 . . . . 75.55 112.01 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -98.05 8.38 44.86 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.491 0.716 . . . . 62.31 112.129 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -69.19 150.99 46.88 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.509 0.723 . . . . 60.31 112.134 -172.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.7 -24.82 56.28 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.622 0.769 . . . . 74.34 113.008 -175.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -69.73 -42.3 74.14 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.885 0.474 . . . . 75.1 111.465 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -155.38 89.91 2.96 Favored Pre-proline 0 CA--C 1.561 1.376 0 C-N-CA 122.638 0.375 . . . . 71.13 111.549 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -86.45 -7.16 7.83 Favored 'Trans proline' 0 CA--C 1.561 1.842 0 C-N-CA 123.05 2.5 . . . . 63.23 112.636 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.93 -22.15 59.78 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.153 0.981 . . . . 72.53 111.387 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 tp -51.46 -51.67 53.01 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.818 1.247 . . . . 75.34 111.17 168.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.451 ' HG3' HD23 ' A' ' 24' ' ' LEU . 36.0 ttp85 -60.47 -41.91 95.14 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.011 -1.45 . . . . 63.02 111.753 177.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -65.57 -32.93 74.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.939 0.496 . . . . 63.54 111.784 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -65.4 -35.43 80.92 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.935 0.494 . . . . 62.53 111.198 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.51 -42.06 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 123.034 0.534 . . . . 71.31 110.415 173.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.6 mt -70.19 -23.11 62.9 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.098 0.959 . . . . 75.41 112.281 178.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.512 ' HA ' HG21 ' A' ' 33' ' ' ILE . 54.0 t -86.02 -13.29 47.94 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.729 0.811 . . . . 75.44 111.609 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.19 9.42 86.08 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-O 120.091 -0.283 . . . . 65.42 113.652 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.33 -43.93 66.06 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.751 0.82 . . . . 72.43 110.522 174.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 59.6 mt -103.56 125.85 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.66 0.784 . . . . 74.2 109.052 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.3 p -83.43 154.74 66.16 Favored Pre-proline 0 N--CA 1.486 1.351 0 C-N-CA 122.834 0.454 . . . . 64.3 110.831 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.12 -35.21 18.94 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 123.657 2.905 . . . . 61.11 115.457 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -33.2 57.91 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 112.184 0.438 . . . . 75.14 112.184 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 95' ' ' MET . 46.4 mt-30 -64.87 -57.27 9.27 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 122.538 0.335 . . . . 74.31 110.875 174.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.9 tp -60.92 -18.02 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 123.044 0.538 . . . . 72.41 112.355 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.11 -36.84 34.77 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 123.559 0.743 . . . . 52.5 112.536 174.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m -92.81 -15.48 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 113.38 0.882 . . . . 53.35 113.38 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 91' ' ' GLN . 92.9 mtp -64.78 138.54 58.44 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 122.966 0.506 . . . . 61.43 112.059 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.5 p -79.16 167.6 20.78 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.621 0.368 . . . . 64.24 110.68 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 50.0 m -59.47 -29.76 68.04 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 122.844 0.458 . . . . 60.32 111.263 174.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.06 -51.58 67.41 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.352 1.061 . . . . 71.12 110.48 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -68.22 -36.76 80.02 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.096 0.959 . . . . 72.54 112.889 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.8 mtm . . . . . 0 N--CA 1.481 1.08 0 C-N-CA 123.242 0.617 . . . . 73.51 111.703 -179.258 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 112.31 0.485 . . . . 64.15 112.31 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -49.33 -44.15 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 124.924 1.29 . . . . 75.1 113.465 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -54.86 13.18 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.749 0.42 . . . . 65.44 110.83 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.43 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 29.2 t-20 -61.98 -33.7 74.8 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 123.534 0.733 . . . . 74.21 111.954 -177.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -60.28 -33.3 72.15 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.976 0.91 . . . . 75.33 111.306 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' A' ' 63' ' ' VAL . 62.8 m -62.7 -48.51 78.98 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.066 0.854 . . . . 75.44 111.354 175.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -54.88 -50.49 68.59 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.413 0.685 . . . . 74.31 110.471 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 17.1 mm-40 -61.89 -47.63 84.12 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 115.584 -0.735 . . . . 63.32 112.423 -175.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.561 ' SD ' HD11 ' A' ' 67' ' ' ILE . 23.2 ptp -72.33 -31.9 66.05 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.045 0.538 . . . . 64.13 112.222 -176.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 91.1 mt -68.48 -41.04 80.68 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.589 0.356 . . . . 75.01 110.665 173.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.416 HG22 HE21 ' A' ' 25' ' ' GLN . 54.2 m -59.67 -38.4 81.41 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.35 0.66 . . . . 64.11 111.236 175.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.23 97.93 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.343 0.657 . . . . 71.41 111.503 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -66.7 -28.6 68.57 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.482 0.713 . . . . 70.41 111.997 174.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 20' ' ' LEU . 80.2 mt -83.92 -8.46 59.17 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.527 0.731 . . . . 65.25 112.731 177.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.416 HE21 HG22 ' A' ' 21' ' ' THR . 43.4 mt-30 -118.43 17.29 13.8 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.733 0.813 . . . . 75.11 111.443 177.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 t -60.06 -49.38 77.9 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.581 0.956 . . . . 73.12 113.581 -172.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -130.38 28.98 4.91 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 122.908 0.483 . . . . 73.05 111.837 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.4 m80 58.61 26.99 15.13 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.771 0.828 . . . . 74.14 111.124 -174.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -57.1 -47.25 81.52 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.189 1.796 . . . . 64.51 112.514 -177.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -64.8 -33.37 75.82 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.445 0.698 . . . . 72.31 112.191 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.92 -39.94 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 C-N-CA 123.322 0.649 . . . . 75.22 110.871 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.97 70.93 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.106 0.962 . . . . 74.04 112.429 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.43 HD13 ' SG ' ' A' ' 84' ' ' CYS . 64.2 mt -95.34 -22.33 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 123.755 0.822 . . . . 55.22 111.462 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.75 14.87 62.41 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 122.708 0.194 . . . . 55.15 113.438 -175.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.05 139.29 34.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.98 0.912 . . . . 72.34 111.948 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.545 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . 6.0 m-20 -87.66 112.06 21.94 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.466 0.706 . . . . 64.33 110.721 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.2 p -72.52 -45.82 57.51 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.367 1.247 . . . . 73.25 114.367 -168.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -59.17 -35.77 74.13 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 123.767 0.827 . . . . 72.41 113.203 -168.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.545 ' HD3' ' HB2' ' A' ' 36' ' ' ASP . 4.8 ptm180 -74.74 -37.08 62.61 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.403 -0.817 . . . . 64.04 112.17 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 64.4 mt -63.25 -43.16 98.79 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 122.735 0.414 . . . . 74.52 111.571 -177.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.9 p -60.81 -38.95 87.13 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.07 0.948 . . . . 75.14 112.016 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.79 82.14 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.622 0.769 . . . . 51.44 112.084 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 73.3 mt-30 -68.05 -31.4 71.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.242 0.617 . . . . 71.3 111.456 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 40' ' ' LEU . 80.3 mt -67.02 -49.43 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 123.339 0.656 . . . . 63.12 110.161 171.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.0 -50.96 72.1 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.728 1.211 . . . . 71.25 112.943 -173.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.73 -34.74 74.87 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.945 0.72 . . . . 71.32 112.945 -177.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.1 t -70.33 -46.71 63.65 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.461 0.704 . . . . 73.5 111.588 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 tt -82.14 -31.19 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.53 0 N-CA-C 113.157 0.799 . . . . 75.12 113.157 -172.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -65.31 -29.11 69.82 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 123.326 0.65 . . . . 71.23 112.536 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -59.46 -42.88 93.02 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 122.904 0.481 . . . . 74.41 111.785 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.78 -45.76 9.52 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.675 0.79 . . . . 74.04 112.064 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.746 HG13 ' HD2' ' A' ' 58' ' ' LYS . 17.5 t -95.66 -13.25 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 124.171 0.988 . . . . 61.13 112.902 -168.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.25 11.09 2.25 Favored Glycine 0 CA--C 1.54 1.608 0 N-CA-C 116.962 1.545 . . . . 72.12 116.962 -169.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -65.32 -21.28 66.69 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 117.697 0.748 . . . . 73.42 111.55 166.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.433 ' HA ' ' HB3' ' A' ' 59' ' ' TYR . 30.7 p 66.01 12.07 8.18 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 126.639 1.975 . . . . 71.42 114.832 171.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -74.08 78.89 1.73 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.021 0.528 . . . . 62.12 111.712 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tpt 70.67 -60.0 0.51 Allowed 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 126.008 1.723 . . . . 73.33 113.639 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.746 ' HD2' HG13 ' A' ' 52' ' ' VAL . 10.3 ttmm -50.32 -44.53 54.24 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.943 1.297 . . . . 74.03 113.405 -173.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.433 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 81.6 t80 -58.51 -48.83 79.53 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 112.802 0.667 . . . . 70.21 112.802 -175.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -64.15 -49.84 70.55 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 122.926 0.141 . . . . 73.23 110.929 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -60.2 -37.74 81.18 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.464 0.706 . . . . 73.32 111.975 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -64.39 -47.06 80.65 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.135 0.974 . . . . 73.53 111.391 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.481 HG21 ' SG ' ' A' ' 16' ' ' CYS . 96.7 t -63.87 -38.8 83.3 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 C-N-CA 122.612 0.365 . . . . 55.31 110.912 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -59.23 -42.88 92.11 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.433 0.693 . . . . 74.44 111.101 172.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.9 m -67.29 -36.51 81.7 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.334 0.654 . . . . 61.24 111.802 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.528 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 25.2 mmt180 -59.11 -53.39 58.87 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.514 0.726 . . . . 74.32 110.45 176.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.561 HD11 ' SD ' ' A' ' 19' ' ' MET . 71.4 mt -56.19 -42.31 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 C-N-CA 123.904 0.881 . . . . 64.11 111.762 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 39.1 t -55.3 -51.48 66.57 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.816 0.846 . . . . 70.42 112.153 -176.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.57 ' HB2' HD21 ' A' ' 75' ' ' ASN . 2.4 p-10 -71.54 -26.67 62.74 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 112.441 0.534 . . . . 74.24 112.441 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 66' ' ' ARG . 94.3 mt -63.12 -39.12 93.77 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 122.882 0.473 . . . . 72.24 111.845 177.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -103.24 3.59 35.73 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.5 0.72 . . . . 75.32 112.713 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 68' ' ' SER . 4.1 t70 -82.08 146.98 29.36 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.044 0.45 . . . . 74.41 111.873 -174.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -18.48 45.51 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.94 0.896 . . . . 62.31 112.924 -176.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -70.25 -35.63 73.93 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.333 0.653 . . . . 73.43 111.738 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.57 HD21 ' HB2' ' A' ' 69' ' ' ASN . 19.0 p-10 -137.63 68.77 52.61 Favored Pre-proline 0 CA--C 1.57 1.724 0 C-N-CA 123.456 0.702 . . . . 72.22 112.468 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.95 -22.41 8.75 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.541 2.161 . . . . 53.5 112.522 173.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -63.53 -31.33 72.46 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.205 1.402 . . . . 75.51 111.944 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 56.9 tp -54.79 -57.08 12.97 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 124.011 0.924 . . . . 74.34 112.574 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.415 ' HD2' HD22 ' A' ' 24' ' ' LEU . 9.5 tpp180 -74.11 -34.11 63.82 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.551 0.34 . . . . 64.1 111.464 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -53.92 -43.75 70.0 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.859 0.464 . . . . 75.1 111.127 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -67.0 -34.57 78.02 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 123.851 0.86 . . . . 74.41 112.18 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.63 -47.57 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 CA-C-O 120.975 0.417 . . . . 61.3 110.975 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.11 -32.85 71.38 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.246 1.019 . . . . 52.02 112.32 175.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.43 ' SG ' HD13 ' A' ' 33' ' ' ILE . 98.0 m -80.12 -13.44 59.27 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.245 0.618 . . . . 71.34 112.312 176.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.53 3.87 74.18 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 119.7 -0.5 . . . . 62.15 114.195 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.16 74.86 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.467 0.707 . . . . 64.01 110.545 175.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 66.7 mt -107.57 137.87 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 123.849 0.859 . . . . 74.43 109.003 173.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.4 p -86.88 152.52 53.84 Favored Pre-proline 0 N--CA 1.487 1.395 0 O-C-N 122.177 -0.327 . . . . 73.32 111.176 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -56.08 -22.74 40.84 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 122.832 2.354 . . . . 61.13 114.117 169.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -69.16 -45.39 70.14 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.291 0.636 . . . . 65.53 110.717 174.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -56.26 -56.62 18.72 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.633 0.773 . . . . 74.2 111.513 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.409 HG21 HH22 ' A' ' 79' ' ' ARG . 9.8 tp -63.35 -20.46 26.13 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 C-N-CA 123.525 0.73 . . . . 70.34 112.314 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.29 -33.68 59.09 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.399 0.68 . . . . 62.25 112.498 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.2 m -105.53 -15.5 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 113.343 0.868 . . . . 72.31 113.343 -175.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.496 ' HE3' ' HG2' ' A' ' 100' ' ' MET . 31.5 ttp -76.8 137.18 39.09 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.566 0.746 . . . . 63.45 112.676 -173.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 t -75.63 165.73 24.63 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.616 0.766 . . . . 72.53 111.738 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.3 p -64.74 -30.24 71.25 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 114.071 1.137 . . . . 74.12 114.071 -171.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.55 -48.94 73.17 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.759 0.79 . . . . 75.34 110.445 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -78.0 -23.04 48.46 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 114.821 -1.081 . . . . 74.21 112.106 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.496 ' HG2' ' HE3' ' A' ' 95' ' ' MET . 68.2 mtm . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 110.042 -0.355 . . . . 61.03 110.042 169.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 112.208 0.448 . . . . 63.21 112.208 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.08 -60.56 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 123.513 0.725 . . . . 73.03 111.052 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -31.88 70.34 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.064 -0.516 . . . . 73.21 111.153 177.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -59.18 -33.05 70.48 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 120.729 0.3 . . . . 72.53 110.7 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -78.91 -35.91 42.74 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 123.208 0.603 . . . . 74.01 111.561 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.2 m -62.6 -53.93 47.19 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 123.621 0.768 . . . . 54.35 112.37 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 ptt85 -55.07 -40.83 70.76 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 112.267 0.469 . . . . 62.44 112.267 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.93 -34.86 69.4 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.876 1.065 . . . . 70.25 113.876 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.786 ' SD ' HD11 ' A' ' 67' ' ' ILE . 23.8 ptp -72.83 -29.46 63.25 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 120.76 0.314 . . . . 73.42 111.022 176.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.18 -41.14 67.34 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.374 0.67 . . . . 70.1 111.061 172.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.545 HG22 HE21 ' A' ' 25' ' ' GLN . 25.7 m -62.99 -38.18 90.13 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.546 0.738 . . . . 54.44 110.425 173.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.524 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -61.56 -39.44 91.14 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.086 0.954 . . . . 73.12 111.632 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.59 74.27 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.391 0.676 . . . . 72.22 112.61 174.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.92 -11.28 51.13 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 113.396 0.887 . . . . 73.43 113.396 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.545 HE21 HG22 ' A' ' 21' ' ' THR . 9.9 pt20 -116.79 5.36 13.07 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 123.398 0.679 . . . . 72.43 111.788 178.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -55.55 -39.34 70.47 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.089 0.955 . . . . 73.2 113.272 -170.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -124.01 20.48 9.11 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 123.686 0.794 . . . . 63.41 109.992 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.5 m80 63.26 38.51 10.33 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 124.837 1.255 . . . . 71.21 111.045 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.08 -47.48 79.92 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.778 1.231 . . . . 44.35 111.569 -173.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -62.51 -29.36 70.49 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.077 -0.965 . . . . 75.15 111.789 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.9 t -70.35 -42.59 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 123.152 0.581 . . . . 62.15 110.57 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.44 79.74 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.752 0.821 . . . . 43.22 112.091 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.9 mt -88.05 -25.56 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 123.791 0.837 . . . . 63.13 111.635 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.86 28.48 37.93 Favored Glycine 0 CA--C 1.536 1.389 0 CA-C-N 116.294 -0.412 . . . . 52.21 113.732 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.16 138.35 36.38 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.142 0.977 . . . . 64.33 111.416 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -80.09 98.39 7.25 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.643 0.377 . . . . 53.22 110.373 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -67.35 -23.29 65.59 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.107 1.151 . . . . 65.52 114.107 -173.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -70.64 -41.9 71.56 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.275 0.63 . . . . 74.01 111.751 -173.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -73.41 -34.04 65.28 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.116 0.566 . . . . 74.4 111.443 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.61 -48.89 70.72 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.876 0.47 . . . . 74.42 111.276 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.5 p -58.89 -37.31 76.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.322 1.049 . . . . 72.53 112.089 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.49 -31.96 72.78 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.081 0.953 . . . . 60.41 112.161 173.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -78.1 -30.29 49.45 Favored 'General case' 0 CA--C 1.563 1.442 0 C-N-CA 123.285 0.634 . . . . 74.14 112.241 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' A' ' 89' ' ' PRO . 3.6 mp -65.52 -43.46 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 N-CA-C 108.952 -0.759 . . . . 63.2 108.952 166.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -59.77 -51.54 69.33 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.244 -0.889 . . . . 75.52 112.127 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -64.36 -32.63 74.32 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.673 0.389 . . . . 74.1 111.828 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.12 -49.16 65.86 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.349 0.66 . . . . 74.11 111.827 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.6 tt -72.14 -24.02 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.537 0 C-N-CA 122.769 0.427 . . . . 55.53 111.017 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.84 -37.55 67.39 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.681 0.792 . . . . 72.14 111.682 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -64.95 -42.29 94.75 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.25 0.62 . . . . 74.23 112.573 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -91.65 -54.06 4.04 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.589 0.709 . . . . 71.31 112.318 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -103.69 -9.41 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 C-N-CA 124.217 1.007 . . . . 74.44 112.988 -166.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.94 14.15 0.14 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 117.809 1.884 . . . . 52.22 117.809 -171.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -64.81 -12.2 45.35 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.792 0.837 . . . . 64.43 112.365 163.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p 61.99 34.86 16.42 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 125.729 1.611 . . . . 71.53 113.294 173.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.87 -169.0 2.36 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-N 115.806 -0.634 . . . . 73.1 110.781 178.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -56.85 -44.48 82.18 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.195 0.998 . . . . 55.52 112.828 -171.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -64.24 -35.9 82.33 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.24 0.616 . . . . 74.44 112.198 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -62.31 -48.37 80.14 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.519 0.728 . . . . 63.1 110.828 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.9 mmtp -55.12 -47.46 74.99 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.288 0.992 . . . . 55.54 111.404 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -61.53 -47.78 84.04 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.542 0.737 . . . . 71.21 111.585 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -60.86 -37.12 81.02 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.722 0.809 . . . . 72.35 112.189 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.4 t -69.08 -46.57 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 122.988 0.515 . . . . 54.5 111.038 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 39.7 mtm180 -61.26 -40.55 94.5 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 122.587 0.355 . . . . 71.25 111.626 179.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.3 t -67.85 -36.1 79.73 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.486 0.715 . . . . 73.4 111.161 175.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.53 ' HE ' ' HG ' ' A' ' 70' ' ' LEU . 6.6 tpm_? -65.61 -43.42 89.65 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.797 0.439 . . . . 75.11 110.976 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.786 HD11 ' SD ' ' A' ' 19' ' ' MET . 53.8 mt -58.13 -57.42 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 123.418 0.687 . . . . 73.43 110.627 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.2 p -58.37 -42.74 87.66 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.136 0.974 . . . . 71.15 112.208 -174.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.468 ' O ' HD23 ' A' ' 78' ' ' LEU . 15.1 m120 -75.2 -26.99 59.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.134 0.573 . . . . 74.03 112.509 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.53 ' HG ' ' HE ' ' A' ' 66' ' ' ARG . 55.7 mt -66.39 -62.7 1.33 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.745 -0.465 . . . . 73.22 109.745 170.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 18.7 ptpt -75.91 15.86 0.48 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 113.357 0.873 . . . . 71.32 113.357 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.69 135.99 56.47 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.263 1.025 . . . . 64.31 112.44 -175.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.85 -29.91 32.32 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.39 -0.823 . . . . 61.15 111.945 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -74.88 -27.18 60.14 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 122.947 0.499 . . . . 61.52 111.49 -175.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -136.3 85.1 27.61 Favored Pre-proline 0 CA--C 1.564 1.481 0 C-N-CA 123.778 0.831 . . . . 73.43 109.118 172.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -71.39 -25.82 21.16 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.708 2.272 . . . . 70.23 111.569 173.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.495 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 16.0 m-20 -66.88 -20.43 65.92 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.16 0.984 . . . . 73.23 112.436 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 69' ' ' ASN . 41.5 tp -63.35 -56.33 17.24 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.021 0.528 . . . . 41.11 111.959 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -71.57 -32.91 68.6 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.368 0.267 . . . . 65.11 110.615 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.495 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 78.4 ttt180 -56.67 -38.68 72.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.596 1.158 . . . . 72.33 111.744 176.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.66 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 92.8 m-20 -73.82 -31.39 63.21 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.677 0.791 . . . . 40.14 112.278 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.5 t -71.3 -39.16 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.314 0.578 . . . . 74.15 110.52 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.41 -33.44 60.96 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.234 1.013 . . . . 63.11 111.936 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.66 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 20.0 p -81.93 -17.25 47.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 122.014 -0.429 . . . . 62.13 111.204 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.39 14.57 55.5 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 114.574 0.589 . . . . 51.25 114.574 177.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.27 -55.15 13.16 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 117.713 0.757 . . . . 74.3 110.72 173.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.2 mp -97.28 131.01 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 N-CA-C 108.61 -0.885 . . . . 74.1 108.61 169.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.1 p -80.16 148.0 66.4 Favored Pre-proline 0 N--CA 1.484 1.234 0 C-N-CA 122.559 0.343 . . . . 71.43 111.02 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.478 ' HB3' HD12 ' A' ' 44' ' ' ILE . 90.5 Cg_exo -49.33 -36.05 36.86 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 123.705 2.937 . . . . 45.03 115.812 176.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -37.07 82.17 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.459 0.304 . . . . 61.12 111.568 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 95' ' ' MET . 29.5 mt-30 -67.21 -56.45 9.84 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.967 0.507 . . . . 65.53 111.252 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.37 -27.5 33.2 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.571 0 C-N-CA 123.009 0.524 . . . . 64.11 112.147 -176.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.25 -36.32 74.39 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 123.48 0.712 . . . . 40.34 112.446 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.1 m -95.77 -4.88 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 112.669 0.618 . . . . 71.3 112.669 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 91' ' ' GLN . 94.5 mtp -75.42 127.5 33.25 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 122.79 0.436 . . . . 73.04 111.94 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 98' ' ' GLU . 89.1 m -68.04 159.48 30.73 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.596 1.159 . . . . 41.31 110.568 173.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.6 p -52.67 -40.1 62.54 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.904 0.882 . . . . 75.14 111.654 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.488 ' H ' HG22 ' A' ' 96' ' ' THR . 24.3 tt0 -63.9 -40.44 96.51 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.233 0.613 . . . . 73.52 111.989 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.471 ' HG2' ' HB ' ' A' ' 96' ' ' THR . 15.9 mm-40 -59.42 -39.68 84.28 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.461 0.648 . . . . 63.43 111.06 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.438 ' SD ' HD21 ' A' ' 78' ' ' LEU . 76.4 mtm . . . . . 0 CA--C 1.557 1.25 0 C-N-CA 124.413 1.085 . . . . 73.1 112.806 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 114.327 1.232 . . . . 72.33 114.327 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.3 t -58.31 -62.66 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 113.631 0.974 . . . . 72.22 113.631 -171.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -70.43 -30.42 67.27 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.322 0.249 . . . . 64.14 111.666 -172.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.9 -44.98 79.4 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.786 0.435 . . . . 62.24 110.267 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -61.31 -47.32 86.47 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.183 0.593 . . . . 74.33 111.25 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 85.9 m -59.43 -39.94 85.16 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.69 0.796 . . . . 34.2 111.763 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -63.09 -47.85 81.12 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.927 0.891 . . . . 73.21 110.156 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.26 -45.73 79.97 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.994 0.918 . . . . 53.42 111.486 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.428 ' HB3' HD13 ' A' ' 67' ' ' ILE . 59.1 mtm -74.27 -27.56 60.8 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.777 0.831 . . . . 62.05 113.233 -176.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 82.0 mt -65.0 -45.44 85.59 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 118.031 0.378 . . . . 72.44 110.573 172.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -68.0 -34.37 76.38 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 115.742 -0.663 . . . . 71.33 110.879 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.05 -31.67 69.41 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.799 0.84 . . . . 65.14 111.791 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.586 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -66.29 -26.0 67.12 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.786 0.834 . . . . 55.12 111.082 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.413 HD21 ' CZ ' ' A' ' 79' ' ' ARG . 66.5 mt -78.83 -36.05 43.09 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.601 0.761 . . . . 63.53 111.008 171.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -88.44 16.87 5.84 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.236 1.014 . . . . 74.4 112.447 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 t -63.75 -32.58 74.12 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.514 0.726 . . . . 74.23 111.478 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -154.01 169.79 22.65 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.092 0.957 . . . . 74.54 108.834 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -85.43 30.07 0.64 Allowed 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.872 0.693 . . . . 75.22 112.872 -174.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.04 -49.61 76.69 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.785 0.834 . . . . 72.52 111.882 173.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -66.28 -29.16 69.32 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.376 0.27 . . . . 74.04 111.515 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.1 t -73.99 -38.06 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 123.719 0.808 . . . . 52.51 110.842 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.5 -36.26 83.32 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.015 0.926 . . . . 30.34 111.532 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.454 HG21 ' HA ' ' A' ' 84' ' ' CYS . 78.1 mt -80.85 -25.73 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.485 0 C-N-CA 123.799 0.84 . . . . 75.34 110.836 174.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.12 -1.25 60.74 Favored Glycine 0 N--CA 1.483 1.767 0 N-CA-C 114.25 0.46 . . . . 73.11 114.25 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.28 111.16 20.18 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.356 0.662 . . . . 52.33 111.073 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -70.4 139.18 51.82 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-O 121.593 0.711 . . . . 70.05 110.33 175.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.2 p -73.23 -25.22 60.64 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 115.735 1.754 . . . . 75.54 115.735 -160.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.54 -48.26 78.24 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 113.799 1.037 . . . . 71.41 113.799 -167.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -29.54 67.21 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 118.557 0.617 . . . . 70.4 111.219 179.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.36 -35.8 81.6 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.33 0.652 . . . . 72.44 110.782 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.9 t -77.17 -34.37 56.35 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.841 0.856 . . . . 60.12 112.316 172.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.89 74.17 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 114.317 1.229 . . . . 63.12 114.317 -171.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -63.19 -33.1 74.75 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 120.934 0.397 . . . . 71.52 111.376 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' A' ' 93' ' ' ALA . 55.8 mt -74.46 -33.73 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.265 0.626 . . . . 72.24 111.652 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.01 -46.29 68.31 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.164 0.986 . . . . 71.51 111.96 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.9 pp20? -78.28 -35.75 47.57 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 116.18 -0.463 . . . . 71.23 112.106 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.39 -49.01 78.63 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 123.16 0.584 . . . . 63.15 112.081 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -70.72 -26.18 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.307 0 C-N-CA 123.78 0.832 . . . . 62.12 110.781 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.697 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 88.7 t80 -63.58 -39.57 94.74 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.143 0.577 . . . . 74.14 112.534 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 91.0 mtt180 -52.68 -46.41 67.24 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.043 0.937 . . . . 75.34 112.383 -173.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.42 -56.54 3.17 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.936 0.717 . . . . 75.53 112.936 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.541 HG12 ' HD2' ' A' ' 58' ' ' LYS . 29.1 m -113.01 -13.37 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 114.599 1.333 . . . . 70.02 114.599 -168.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.697 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -63.49 -5.64 12.78 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 115.107 0.803 . . . . 71.41 115.107 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -61.12 -5.8 1.67 Allowed 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 124.856 1.262 . . . . 63.11 113.205 166.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.4 p 67.4 46.9 1.34 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.935 2.094 . . . . 55.05 111.934 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -77.45 171.75 14.4 Favored 'General case' 0 CA--C 1.56 1.363 0 CA-C-N 113.913 -1.494 . . . . 74.04 110.998 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -61.01 -33.73 73.72 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.17 0.588 . . . . 74.34 111.125 173.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.541 ' HD2' HG12 ' A' ' 52' ' ' VAL . 18.8 ttmm -59.76 -42.4 93.17 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.729 0.812 . . . . 71.14 111.105 172.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -64.8 -43.3 93.61 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.745 0.818 . . . . 75.03 111.408 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.4 mmtp -54.84 -53.59 53.38 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.3 0.64 . . . . 70.33 111.068 178.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.32 -37.15 84.72 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.267 -0.879 . . . . 63.01 112.225 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.47 HH22 ' HE2' ' A' ' 100' ' ' MET . 10.5 tpt180 -70.89 -32.94 70.06 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.894 0.477 . . . . 74.0 111.766 -176.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.9 t -70.37 -43.61 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.864 0.866 . . . . 65.21 111.229 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 66.3 mtm180 -59.44 -42.13 91.21 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.276 0.56 . . . . 73.1 110.604 175.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.1 t -63.39 -51.31 66.37 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 115.073 -0.967 . . . . 71.14 111.786 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.53 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -65.06 -56.89 10.42 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.158 0.583 . . . . 74.45 111.565 -168.745 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.586 HG23 ' HB2' ' A' ' 23' ' ' ALA . 80.6 mt -56.24 -42.53 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 124.01 0.924 . . . . 63.03 111.514 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.9 t -61.84 -40.81 96.6 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.739 0.815 . . . . 52.45 111.945 176.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.572 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 17.4 m120 -75.83 -24.24 55.82 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.776 0.831 . . . . 72.3 112.92 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.609 HD22 ' HD3' ' A' ' 79' ' ' ARG . 87.0 mt -71.52 -31.41 67.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.163 0.585 . . . . 70.52 111.185 176.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -112.05 15.21 20.71 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.022 0.929 . . . . 73.41 111.885 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.572 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 8.6 t70 -65.15 137.34 57.57 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.536 0.734 . . . . 71.24 112.504 -170.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.09 -27.82 60.05 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.437 0.695 . . . . 73.02 112.453 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -84.97 -41.29 16.0 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.243 0.617 . . . . 74.04 110.364 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -132.84 77.82 67.69 Favored Pre-proline 0 CA--C 1.563 1.467 0 C-N-CA 123.088 0.555 . . . . 75.44 111.044 178.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -80.69 -20.24 8.05 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.651 2.234 . . . . 74.21 112.132 170.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.403 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 7.2 m-20 -61.28 -25.3 67.01 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.806 1.243 . . . . 60.44 112.301 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 55.8 tp -53.46 -58.37 7.38 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.871 0.868 . . . . 64.23 111.661 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.609 ' HD3' HD22 ' A' ' 70' ' ' LEU . 5.7 tpt180 -79.43 -31.0 42.51 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.817 0.673 . . . . 65.22 112.817 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.403 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 20.3 ttt180 -60.39 -31.84 70.75 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.079 0.551 . . . . 73.53 112.066 -178.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 90.0 m-20 -69.61 -30.62 68.4 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.139 0.576 . . . . 74.42 111.873 172.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.559 HG22 ' HB ' ' A' ' 87' ' ' ILE . 16.5 t -72.66 -35.87 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 122.577 0.351 . . . . 62.11 110.489 174.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.32 -36.12 82.1 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.782 0.833 . . . . 72.21 111.771 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.454 ' HA ' HG21 ' A' ' 33' ' ' ILE . 31.4 p -82.56 -16.32 48.99 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 122.765 0.426 . . . . 73.05 111.737 175.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.28 10.72 55.64 Favored Glycine 0 N--CA 1.476 1.336 0 N-CA-C 114.644 0.618 . . . . 72.51 114.644 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.91 -54.74 16.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.576 0.75 . . . . 64.34 111.477 174.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' A' ' 82' ' ' VAL . 65.2 mt -89.47 137.8 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.164 0.585 . . . . 72.35 109.79 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 p -76.87 152.59 82.74 Favored Pre-proline 0 N--CA 1.486 1.349 0 C-N-CA 122.967 0.507 . . . . 74.22 111.567 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -50.99 -32.48 38.61 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 123.25 2.633 . . . . 72.15 113.936 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -68.81 -48.0 64.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.716 0.406 . . . . 74.3 112.068 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -65.16 -47.09 78.23 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.051 0.389 . . . . 64.22 112.051 -173.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -65.35 -21.42 29.26 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.751 0 C-N-CA 122.555 0.342 . . . . 72.13 111.821 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.456 ' HB2' HG23 ' A' ' 44' ' ' ILE . . . -82.55 -33.55 28.1 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.627 0.771 . . . . 75.21 112.936 175.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.0 m -92.3 -31.69 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 113.593 0.96 . . . . 64.31 113.593 -174.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 67.4 mtm -61.81 128.26 35.35 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.962 0.727 . . . . 74.2 112.962 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.3 p -71.18 171.99 10.04 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.015 0.526 . . . . 70.14 111.192 173.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.0 m -56.03 -38.67 70.87 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 122.946 0.499 . . . . 71.23 111.937 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -62.0 -35.19 77.79 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.302 1.041 . . . . 64.21 111.314 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -77.75 -37.9 48.13 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.734 0.813 . . . . 63.12 111.158 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.47 ' HE2' HH22 ' A' ' 62' ' ' ARG . 39.2 mtm . . . . . 0 N--CA 1.485 1.301 0 C-N-CA 123.841 0.856 . . . . 75.13 112.606 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.064 0 N-CA-C 112.81 0.671 . . . . 73.3 112.81 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.46 -50.82 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.388 0.675 . . . . 63.14 111.411 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -55.98 -47.28 77.98 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.617 1.167 . . . . 74.44 112.231 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -67.14 -44.35 80.04 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.386 -0.824 . . . . 73.42 111.22 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -63.66 -39.43 94.32 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.661 0.784 . . . . 73.31 111.556 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -64.43 -44.08 92.29 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.951 0.901 . . . . 53.43 111.37 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HE ' ' HB2' ' A' ' 42' ' ' ALA . 49.0 ttt180 -60.28 -42.31 95.15 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.144 0.577 . . . . 74.22 111.283 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -56.95 -52.16 66.3 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 112.868 0.692 . . . . 73.43 112.868 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -72.65 -28.05 62.5 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 112.672 0.619 . . . . 71.1 112.672 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.17 -41.31 99.22 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 122.803 0.441 . . . . 62.41 111.022 167.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -66.27 -40.59 90.21 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.562 0.745 . . . . 61.31 110.624 176.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.28 -32.02 73.44 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.97 0.908 . . . . 64.12 112.155 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.43 -30.63 71.73 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.323 0.649 . . . . 74.34 111.674 173.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.667 ' HB3' HD21 ' A' ' 83' ' ' LEU . 84.5 mt -86.97 -29.22 22.2 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.919 0.887 . . . . 70.0 112.415 176.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -86.85 -19.4 29.0 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 113.567 0.951 . . . . 61.43 113.567 -177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -52.47 -47.53 66.45 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 114.185 1.18 . . . . 63.13 114.185 -171.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -97.43 2.3 50.22 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.307 0.643 . . . . 75.03 112.119 176.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 m80 62.03 19.98 11.23 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.914 1.286 . . . . 53.55 113.781 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -57.87 -26.23 61.83 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 113.254 0.835 . . . . 75.22 113.254 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -62.73 -23.36 67.14 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.592 0.757 . . . . 65.0 112.757 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.53 -44.61 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.22 0.608 . . . . 75.04 111.685 -176.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.15 -30.17 68.34 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.307 0.643 . . . . 72.51 111.902 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -88.04 -31.35 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 C-N-CA 123.688 0.795 . . . . 75.51 112.043 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.42 55.64 6.69 Favored Glycine 0 N--CA 1.473 1.137 0 CA-C-N 116.109 -0.496 . . . . 75.11 112.433 -171.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -118.92 127.41 53.46 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.022 0.929 . . . . 74.11 110.872 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.483 ' HB2' ' HG2' ' A' ' 39' ' ' ARG . 7.8 m-20 -78.79 97.97 6.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.421 0.288 . . . . 64.02 110.567 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.1 m -57.65 -26.21 61.3 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.665 0.786 . . . . 50.02 112.966 -177.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.16 -38.7 66.12 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.103 0.561 . . . . 73.2 112.513 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 17.0 ptp180 -76.6 -31.46 57.47 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-N 118.494 0.588 . . . . 72.22 110.468 177.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.48 -49.14 70.2 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.886 0.474 . . . . 73.21 110.38 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.9 p -64.72 -29.66 70.65 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.634 0.774 . . . . 62.5 112.028 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.485 ' HB2' ' HE ' ' A' ' 17' ' ' ARG . . . -70.48 -39.78 73.99 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.559 0.743 . . . . 74.34 111.792 175.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -70.97 -29.8 65.89 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.626 0.37 . . . . 74.25 111.041 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.1 mt -64.07 -44.59 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.589 0.755 . . . . 73.52 110.095 166.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -41.1 98.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.408 1.083 . . . . 64.4 111.167 -172.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -39.56 92.4 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 118.055 0.389 . . . . 72.31 111.587 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.1 m -67.76 -48.97 64.89 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.94 0.496 . . . . 45.12 111.619 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.05 -25.52 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.398 0 C-N-CA 122.811 0.444 . . . . 73.52 111.039 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -73.24 -37.03 66.49 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 122.941 0.496 . . . . 73.42 111.924 175.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -69.92 -36.67 75.54 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.944 0.498 . . . . 75.42 111.791 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.97 -54.19 4.24 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-O 121.67 0.747 . . . . 75.34 111.83 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.664 HG21 ' HG2' ' A' ' 62' ' ' ARG . 6.3 t -110.63 -8.45 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 C-N-CA 124.4 1.08 . . . . 71.54 112.192 -169.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.11 19.67 0.12 Allowed Glycine 0 N--CA 1.478 1.445 0 N-CA-C 118.688 2.235 . . . . 54.33 118.688 -166.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.461 HD21 ' HD3' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -65.98 90.81 0.14 Allowed 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 118.682 1.241 . . . . 64.43 108.435 157.53 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.421 ' O ' ' HE3' ' A' ' 60' ' ' LYS . 8.2 t -55.57 -23.43 26.98 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.121 0.969 . . . . 75.52 113.571 -167.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.95 115.67 5.61 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.226 0.61 . . . . 74.41 110.98 169.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.2 ttt 67.17 -77.1 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 125.006 1.322 . . . . 73.01 114.276 169.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.461 ' HD3' HD21 ' A' ' 54' ' ' ASN . 61.2 tttp -58.16 -48.91 78.82 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.536 1.134 . . . . 71.34 113.266 -167.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.474 ' O ' HG23 ' A' ' 63' ' ' VAL . 59.1 t80 -59.75 -46.27 89.67 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.482 0.713 . . . . 75.41 112.465 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HE3' ' O ' ' A' ' 55' ' ' THR . 95.5 mttt -55.8 -46.23 78.06 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.899 0.88 . . . . 74.42 112.145 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -72.41 -33.3 67.05 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.363 0.665 . . . . 51.45 111.499 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.664 ' HG2' HG21 ' A' ' 52' ' ' VAL . 27.5 tpt180 -75.54 -26.82 58.34 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.095 0.558 . . . . 73.43 112.171 -177.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 59' ' ' TYR . 95.3 t -60.91 -40.65 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 109.689 -0.486 . . . . 71.33 109.689 170.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -65.49 -31.09 71.98 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.846 0.458 . . . . 65.22 111.482 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.1 m -60.47 -34.36 73.91 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 122.762 0.425 . . . . 65.02 111.205 174.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -73.92 -54.6 7.58 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.232 0.613 . . . . 71.34 110.751 175.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.1 mt -55.2 -57.86 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.505 1.122 . . . . 72.22 112.29 -176.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.2 t -56.02 -41.47 75.0 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.436 1.094 . . . . 72.11 112.211 -175.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -75.95 -30.01 58.51 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.521 0.728 . . . . 54.44 112.823 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.89 -46.13 72.5 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 120.8 0.333 . . . . 64.11 110.227 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -86.5 4.32 40.36 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.489 1.115 . . . . 54.42 112.139 -177.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -73.31 152.32 40.98 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.647 0.779 . . . . 74.21 112.866 -169.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.1 -21.58 39.8 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.951 0.9 . . . . 61.21 113.027 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -68.39 -37.29 80.24 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 123.01 0.524 . . . . 74.32 110.664 176.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -133.1 86.1 43.37 Favored Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 123.551 0.74 . . . . 74.35 109.316 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.22 -34.07 37.46 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.755 2.303 . . . . 52.44 111.859 176.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.98 -15.32 62.06 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.963 -1.017 . . . . 73.02 113.244 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.8 tp -56.77 -49.27 75.81 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 112.752 0.649 . . . . 60.3 112.752 -175.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -67.15 -36.83 82.68 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.839 0.456 . . . . 65.32 111.403 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -65.31 -39.89 93.07 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.946 1.298 . . . . 73.33 112.347 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.603 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 0.4 OUTLIER -76.83 -25.78 53.58 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.294 0.637 . . . . 72.45 112.23 -176.341 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.406 ' N ' HD22 ' A' ' 81' ' ' ASN . 93.5 t -70.3 -39.22 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-O 121.071 0.462 . . . . 74.54 110.01 172.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 24' ' ' LEU . 84.6 mt -66.08 -38.37 88.11 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.665 0.786 . . . . 71.42 112.221 176.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.603 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 17.4 p -81.63 -12.52 58.68 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 122.652 0.381 . . . . 32.44 111.752 176.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.26 17.27 69.57 Favored Glycine 0 C--N 1.352 1.451 0 N-CA-C 114.512 0.565 . . . . 72.15 114.512 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.17 -54.54 24.08 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.103 0.561 . . . . 71.24 110.394 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.5 mp -100.7 120.72 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 107.318 -1.364 . . . . 71.44 107.318 167.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.3 p -71.97 152.78 92.95 Favored Pre-proline 0 N--CA 1.482 1.166 0 C-N-CA 122.342 0.257 . . . . 54.41 111.159 -175.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -52.12 -29.82 38.48 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 123.253 2.635 . . . . 72.12 114.203 173.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -47.93 69.82 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.408 0.683 . . . . 70.22 110.016 175.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -64.09 -54.96 25.81 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.306 0.642 . . . . 72.41 111.77 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.62 -23.5 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 123.422 0.689 . . . . 74.04 112.493 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.21 -23.78 51.37 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.236 0.828 . . . . 55.23 113.236 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.1 m -110.95 -14.12 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 112.691 0.626 . . . . 55.44 112.691 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 80.9 mtp -58.73 139.98 55.44 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 123.698 0.799 . . . . 73.41 112.064 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.4 p -73.14 169.46 16.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.936 -0.478 . . . . 55.24 111.241 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.2 p -59.81 -35.5 74.83 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.803 0.441 . . . . 70.22 111.506 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.34 -39.55 81.85 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.402 0.681 . . . . 72.12 112.124 175.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.29 -41.41 96.89 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.6 0.76 . . . . 73.33 111.777 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 78.7 mtm . . . . . 0 N--CA 1.485 1.282 0 C-N-CA 123.603 0.761 . . . . 71.13 112.555 -178.477 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 N-CA-C 111.632 0.234 . . . . 74.54 111.632 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.98 -61.65 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 123.757 0.823 . . . . 72.21 111.893 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -72.93 -31.67 64.77 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.435 0.294 . . . . 73.42 111.183 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -63.35 -35.55 80.77 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 122.492 0.317 . . . . 73.0 111.069 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -57.77 -45.28 86.2 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.135 0.974 . . . . 75.32 111.13 172.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.812 ' SG ' HG21 ' A' ' 63' ' ' VAL . 43.0 t -61.68 -46.23 90.59 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.165 -0.925 . . . . 74.43 111.998 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -56.45 -47.98 78.01 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.569 0.748 . . . . 75.15 111.376 173.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.26 -37.44 80.42 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.17 0.588 . . . . 75.12 112.413 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 75.4 mtm -72.11 -47.05 54.12 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.868 0.467 . . . . 74.11 111.668 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 93.1 mt -60.59 -40.78 93.0 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 122.767 0.427 . . . . 74.42 111.224 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.709 HG22 HE21 ' A' ' 25' ' ' GLN . 85.7 m -64.89 -39.21 93.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.956 0.903 . . . . 73.24 110.901 176.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -65.4 -34.4 78.22 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.625 0.77 . . . . 52.32 111.778 175.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.581 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -65.45 -30.21 70.97 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.904 0.882 . . . . 73.42 112.01 173.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 20' ' ' LEU . 57.2 mt -79.97 -38.41 32.29 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.927 0.491 . . . . 74.33 111.782 177.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.709 HE21 HG22 ' A' ' 21' ' ' THR . 11.4 pt20 -99.23 10.25 41.81 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.249 0.62 . . . . 71.23 112.302 -177.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 t -53.94 -42.72 69.17 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 123.669 0.788 . . . . 55.24 112.769 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -86.38 -24.49 25.75 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 124.073 0.949 . . . . 64.32 110.46 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.6 m80 68.61 6.21 5.33 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 125.88 1.672 . . . . 62.35 113.361 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.15 -26.14 68.4 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.776 0.83 . . . . 64.11 110.817 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.468 ' HD2' HD23 ' A' ' 83' ' ' LEU . 4.0 t-80 -58.68 -38.58 78.54 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 124.72 1.208 . . . . 71.21 110.756 175.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.38 -39.35 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.817 0.847 . . . . 73.33 110.407 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.04 91.78 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.22 1.008 . . . . 65.02 112.75 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 83' ' ' LEU . 51.5 mt -77.57 -24.62 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 C-N-CA 123.336 0.654 . . . . 75.01 111.193 175.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.25 22.78 36.63 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 116.764 -0.198 . . . . 73.01 113.084 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.19 125.59 29.58 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.399 0.68 . . . . 74.32 110.424 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.481 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 4.2 m-20 -78.22 97.4 5.51 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.756 0.822 . . . . 74.23 110.879 -175.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.4 p -65.29 -48.95 71.37 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 113.913 1.079 . . . . 53.24 113.913 -170.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.36 -26.19 63.61 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.129 0.418 . . . . 74.2 112.129 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -62.52 -51.36 67.72 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.645 0.778 . . . . 51.04 111.291 171.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 44.6 mt -60.48 -51.55 68.99 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.913 0.485 . . . . 73.34 110.445 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 36.7 t -57.79 -41.29 81.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.542 1.137 . . . . 34.11 112.363 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.53 92.9 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.826 0.851 . . . . 63.54 112.305 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -77.19 -26.14 52.52 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.392 -0.822 . . . . 65.15 111.736 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 98.9 mt -69.15 -37.93 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 122.664 0.386 . . . . 74.22 110.108 170.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 41' ' ' SER . 7.3 mm-40 -55.37 -29.88 59.26 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.436 1.094 . . . . 64.34 112.955 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -66.97 -49.32 65.77 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.432 0.693 . . . . 74.25 111.55 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.42 -43.88 38.38 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.676 0.79 . . . . 64.22 112.741 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.7 tt -67.73 -27.26 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 123.319 0.648 . . . . 74.05 111.656 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 41.5 t80 -66.06 -24.24 66.69 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.111 0.964 . . . . 73.03 112.348 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -67.96 -48.24 66.39 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.107 0.563 . . . . 73.43 111.998 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -88.71 -55.66 3.62 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 121.686 0.755 . . . . 72.21 111.367 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.653 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 42.6 t -87.79 -10.43 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.067 0.947 . . . . 64.34 113.007 -170.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.51 -2.26 0.43 Allowed Glycine 0 N--CA 1.487 2.063 0 N-CA-C 116.459 1.344 . . . . 75.31 116.459 -174.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.15 96.37 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 123.984 0.914 . . . . 64.24 110.296 158.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.3 p -87.15 20.18 2.83 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 113.665 0.987 . . . . 73.22 113.665 -171.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.77 -81.87 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 122.796 0.438 . . . . 74.21 110.689 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.2 ttt -126.81 -39.55 1.96 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.065 0.546 . . . . 55.24 110.632 175.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.653 ' HE3' ' HA ' ' A' ' 52' ' ' VAL . 3.7 tmmm? -56.63 -36.13 69.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.757 0.823 . . . . 74.13 112.882 -170.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.556 ' HA ' HG12 ' A' ' 52' ' ' VAL . 61.9 t80 -65.82 -35.01 79.47 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 118.287 0.494 . . . . 73.1 111.877 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -44.02 49.33 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.295 1.038 . . . . 73.02 110.466 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -77.24 -30.9 54.73 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.617 1.167 . . . . 74.4 112.232 -172.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.505 ' HE ' ' HA ' ' A' ' 62' ' ' ARG . 0.8 OUTLIER -73.83 -44.05 56.88 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.915 0.486 . . . . 73.41 111.05 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.812 HG21 ' SG ' ' A' ' 16' ' ' CYS . 70.2 t -65.95 -43.22 92.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.225 -0.898 . . . . 71.31 112.574 -177.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -61.47 -33.43 73.74 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 118.572 0.624 . . . . 71.55 111.818 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.5 t -75.37 -31.28 60.46 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.697 0.799 . . . . 64.34 111.056 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.402 ' NH2' HG13 ' A' ' 92' ' ' ILE . 8.9 tpt180 -67.58 -37.24 82.32 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.702 0.801 . . . . 71.13 111.526 176.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.581 HG23 ' HB2' ' A' ' 23' ' ' ALA . 10.6 mm -52.88 -45.89 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 124.143 0.977 . . . . 54.24 112.124 176.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 97.3 p -60.73 -32.9 72.16 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.259 0.624 . . . . 51.34 112.067 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -73.35 -31.36 63.91 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.935 0.894 . . . . 75.0 112.02 175.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.567 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 88.9 mt -85.47 -8.77 58.19 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.407 0.683 . . . . 73.13 112.137 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HD2' HG22 ' A' ' 67' ' ' ILE . 19.0 ptmt -121.87 14.29 10.77 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.152 0.981 . . . . 73.41 110.751 174.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.53 123.64 20.59 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.779 0.831 . . . . 75.01 112.284 -169.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.87 1.21 50.75 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.814 0.846 . . . . 74.24 113.231 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -96.59 -51.85 4.16 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.207 0.603 . . . . 64.12 109.456 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -98.67 101.76 12.83 Favored Pre-proline 0 N--CA 1.481 1.106 0 N-CA-C 108.685 -0.857 . . . . 72.43 108.685 171.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -79.33 -26.49 4.98 Favored 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.174 1.916 . . . . 75.5 112.182 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.583 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 13.9 t70 -75.58 -30.67 59.71 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.936 0.895 . . . . 54.32 112.633 -165.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.4 tp -55.75 -55.44 32.3 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.43 0.692 . . . . 70.53 111.048 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 -75.6 -29.74 59.35 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.857 0.863 . . . . 74.32 112.788 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.583 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 36.6 ttt180 -59.01 -43.58 91.58 Favored 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 124.143 0.977 . . . . 75.14 112.252 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -70.96 -25.06 62.56 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 115.739 -0.664 . . . . 62.31 111.499 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.5 t -79.98 -26.43 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.671 0 C-N-CA 122.914 0.486 . . . . 71.32 110.933 172.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 80' ' ' ARG . 89.0 mt -65.36 -30.55 71.4 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 124.03 0.932 . . . . 71.35 111.577 173.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.7 p -102.44 -16.48 16.17 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.151 0.581 . . . . 72.03 112.011 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.4 27.55 54.74 Favored Glycine 0 CA--C 1.544 1.874 0 N-CA-C 114.075 0.39 . . . . 55.05 114.075 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.44 -8.97 59.75 Favored 'General case' 0 CA--C 1.563 1.458 0 C-N-CA 124.486 1.115 . . . . 64.04 113.645 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.4 mt -107.7 135.99 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 C-N-CA 123.275 0.63 . . . . 61.5 110.44 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.438 ' OG1' ' HB2' ' A' ' 91' ' ' GLN . 43.1 p -71.46 142.88 87.06 Favored Pre-proline 0 N--CA 1.484 1.26 0 C-N-CA 123.15 0.58 . . . . 53.13 110.625 176.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.47 -24.93 63.86 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 123.377 2.718 . . . . 73.31 114.658 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -73.63 -46.89 44.15 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.12 0.168 . . . . 74.01 110.806 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.438 ' HB2' ' OG1' ' A' ' 88' ' ' THR . 0.0 OUTLIER -58.27 -47.85 82.32 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.848 0.859 . . . . 73.44 111.208 -175.145 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.402 HG13 ' NH2' ' A' ' 66' ' ' ARG . 10.3 tp -63.37 -38.65 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.512 0 C-N-CA 122.876 0.47 . . . . 75.13 111.235 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.31 -31.39 58.16 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.273 0.842 . . . . 63.13 113.273 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.6 m -82.29 -19.58 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 112.376 0.51 . . . . 74.43 112.376 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.7 mtm -75.86 125.84 29.86 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 120.677 0.275 . . . . 64.25 111.619 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.9 p -82.92 179.29 7.81 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.189 0.996 . . . . 74.25 111.567 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -52.65 -34.42 51.4 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 123.515 0.726 . . . . 63.34 112.578 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.95 -54.43 44.89 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.591 1.156 . . . . 72.2 112.055 172.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -78.16 -29.3 48.56 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 115.609 -0.723 . . . . 72.1 112.877 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.484 1.24 0 C-N-CA 123.253 0.621 . . . . 65.33 111.539 -178.69 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.7 p . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.463 0.173 . . . . 71.31 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -109.86 145.04 37.46 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.77 0.828 . . . . 75.15 110.538 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 3' ' ' MET . 1.2 mpt? -85.77 130.75 49.58 Favored Pre-proline 0 CA--C 1.555 1.161 0 CA-C-N 115.534 -0.757 . . . . 74.24 111.029 -175.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -63.05 176.67 1.79 Allowed 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 122.735 2.29 . . . . 51.44 112.641 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.49 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 24.8 m -60.1 116.79 18.88 Favored Pre-proline 0 CA--C 1.569 1.686 0 CA-C-O 120.679 0.276 . . . . 72.32 110.827 177.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 5' ' ' VAL . 9.9 Cg_exo -73.26 168.27 25.18 Favored 'Trans proline' 0 C--N 1.369 1.634 0 C-N-CA 123.277 2.652 . . . . 72.0 113.847 -170.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.1 m -64.46 162.2 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 114.746 -1.115 . . . . 74.21 111.669 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' A' ' 14' ' ' ASN . 63.5 p -65.65 -26.98 68.04 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 115.651 -0.704 . . . . 73.31 112.608 -175.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t 68.09 -71.81 0.1 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 125.563 1.545 . . . . 63.23 112.274 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -159.13 171.4 20.02 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.812 1.245 . . . . 73.03 108.962 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.55 -3.74 1.61 Allowed 'General case' 0 CA--C 1.561 1.377 0 N-CA-C 113.816 1.043 . . . . 74.45 113.816 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -81.57 -60.89 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 118.408 0.549 . . . . 40.03 110.332 168.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -66.99 -44.02 81.47 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.097 0.559 . . . . 72.45 112.233 -172.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.489 ' HB2' ' HB ' ' A' ' 8' ' ' THR . 63.4 t30 -65.76 -33.69 76.45 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.84 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 84.7 tttt -68.38 -43.36 77.5 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.354 0.662 . . . . 50.32 111.168 176.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.4 m -62.18 -44.54 96.36 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.143 0.577 . . . . 63.05 111.343 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.96 -46.44 89.26 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.494 1.117 . . . . 75.15 111.146 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.488 ' HG2' ' HA ' ' A' ' 15' ' ' LYS . 7.6 pt-20 -72.01 -30.59 65.37 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 112.257 0.466 . . . . 72.42 112.257 -177.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.456 ' HB3' HD11 ' A' ' 67' ' ' ILE . 67.8 mtm -71.46 -33.2 69.12 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.697 0.399 . . . . 74.41 111.473 175.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.57 -36.05 80.18 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 122.583 0.353 . . . . 72.15 110.716 170.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -63.76 -42.97 97.71 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.212 0.605 . . . . 72.42 110.607 172.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.53 -30.78 70.52 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.362 1.065 . . . . 74.32 111.647 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -63.93 -31.52 72.73 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.666 0.786 . . . . 34.12 111.788 171.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -86.34 -26.88 24.63 Favored 'General case' 0 CA--C 1.56 1.354 0 CA-C-N 115.319 -0.855 . . . . 51.44 112.171 174.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -89.96 -19.2 24.78 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 113.117 0.784 . . . . 73.54 113.117 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.444 HG21 ' HE2' ' A' ' 71' ' ' LYS . 12.9 t -59.93 -19.72 53.41 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.333 0.653 . . . . 63.14 112.089 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -137.43 150.67 47.8 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.682 1.193 . . . . 70.2 108.656 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -85.55 27.07 0.86 Allowed 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.321 0.648 . . . . 71.1 112.053 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -57.48 -46.21 83.98 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.762 1.225 . . . . 71.53 111.677 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -63.53 -25.58 68.32 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 115.27 -0.877 . . . . 53.44 112.083 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -73.39 -42.17 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.369 0.668 . . . . 73.15 110.614 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.57 97.64 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.441 0.696 . . . . 62.23 111.675 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.666 HD11 ' HD3' ' A' ' 80' ' ' ARG . 62.0 mt -76.45 -23.09 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 C-N-CA 123.605 0.762 . . . . 62.13 111.281 174.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.42 26.29 61.68 Favored Glycine 0 CA--C 1.536 1.404 0 CA-C-N 116.492 -0.322 . . . . 54.31 113.796 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -102.47 130.56 49.3 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.153 0.981 . . . . 75.33 111.08 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -79.02 111.81 15.6 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 121.132 0.492 . . . . 73.11 111.071 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.7 p -69.52 -30.6 68.48 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 114.23 1.196 . . . . 54.05 114.23 -168.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -31.11 71.67 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 113.558 0.947 . . . . 65.11 113.558 -173.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -82.45 -38.41 24.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.063 0.545 . . . . 64.12 110.984 174.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.58 HD11 ' HB1' ' A' ' 35' ' ' ALA . 93.4 mt -60.43 -43.2 97.01 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.708 0.803 . . . . 63.14 111.814 -176.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.4 p -57.39 -46.66 83.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.0 0.92 . . . . 72.42 111.382 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.36 -31.71 71.3 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.367 1.067 . . . . 53.43 112.72 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -67.92 -45.12 75.25 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.256 0.622 . . . . 73.54 111.152 175.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.2 -37.39 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.006 0.522 . . . . 52.22 110.322 173.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.39 -47.08 85.72 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 124.341 1.056 . . . . 75.42 110.763 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.77 -34.63 77.18 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 118.194 0.452 . . . . 64.14 111.711 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.4 m -65.48 -41.5 93.25 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.396 0.678 . . . . 74.44 111.999 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.0 tt -83.49 -25.39 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.445 0 C-N-CA 122.677 0.391 . . . . 74.43 111.155 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -61.2 -27.16 68.22 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 124.713 1.205 . . . . 64.23 112.376 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -60.0 -43.6 95.1 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.149 0.58 . . . . 60.41 111.38 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -90.8 -55.76 3.44 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.757 0.789 . . . . 73.45 111.626 173.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.565 HG12 ' HD1' ' A' ' 59' ' ' TYR . 76.8 t -81.99 -19.47 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 N-CA-C 113.81 1.041 . . . . 73.13 113.81 -167.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.67 -11.42 10.49 Favored Glycine 0 N--CA 1.48 1.632 0 N-CA-C 116.778 1.471 . . . . 44.05 116.778 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.481 HD21 ' HD2' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -66.08 110.77 3.08 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 121.353 0.596 . . . . 62.25 110.332 169.185 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.7 p -79.33 14.2 1.63 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 114.163 1.172 . . . . 42.43 114.163 -166.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.95 -50.2 37.13 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.035 0.934 . . . . 70.14 112.631 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.5 -67.03 0.33 Allowed 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.498 0.319 . . . . 73.5 111.594 -177.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.481 ' HD2' HD21 ' A' ' 54' ' ' ASN . 18.0 ptpt -60.72 -34.13 73.95 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.322 0.86 . . . . 73.54 113.322 -170.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.565 ' HD1' HG12 ' A' ' 52' ' ' VAL . 23.4 t80 -62.0 -31.71 72.11 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 118.421 0.555 . . . . 71.32 112.202 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -71.94 -48.98 41.41 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 122.92 0.488 . . . . 74.43 111.558 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -76.42 -45.0 33.46 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.438 0.695 . . . . 73.22 112.655 -173.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -57.13 -40.57 77.41 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.027 0.931 . . . . 72.03 112.786 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 67' ' ' ILE . 77.2 t -62.97 -45.0 99.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 123.65 0.594 . . . . 54.3 110.878 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -58.78 -47.54 84.34 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.246 0.546 . . . . 63.25 111.191 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.7 t -63.93 -35.4 80.54 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.154 0.981 . . . . 61.23 112.172 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -68.46 -45.72 71.69 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.01 0.924 . . . . 64.24 110.837 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 23' ' ' ALA . 93.7 mt -53.14 -44.98 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 124.586 1.154 . . . . 70.43 110.941 175.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.6 t -57.15 -49.1 76.98 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.289 -0.869 . . . . 74.34 111.817 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -65.74 -29.83 70.41 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.839 0.856 . . . . 73.33 112.755 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.435 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 89.9 mt -76.26 -19.16 58.58 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.872 0.693 . . . . 73.41 112.872 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HE2' HG21 ' A' ' 26' ' ' THR . 19.3 ptpt -121.37 8.28 10.21 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.3 0.64 . . . . 74.01 112.569 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.81 141.14 51.36 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 113.136 0.791 . . . . 74.31 113.136 -169.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.13 -22.34 24.15 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.651 0.78 . . . . 70.41 112.923 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.81 -23.12 39.44 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.95 0.5 . . . . 45.45 110.818 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.47 ' ND2' ' HB2' ' A' ' 78' ' ' LEU . 64.3 t30 -138.35 75.86 38.56 Favored Pre-proline 0 CA--C 1.562 1.424 0 C-N-CA 122.754 0.421 . . . . 63.32 110.625 169.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -80.31 -15.86 11.15 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.862 2.375 . . . . 62.11 113.627 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.66 -17.35 57.8 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 122.852 0.461 . . . . 71.34 111.93 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HB2' ' ND2' ' A' ' 75' ' ' ASN . 42.1 tp -55.69 -51.34 67.6 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.792 0.437 . . . . 60.35 111.798 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -60.67 -38.04 83.6 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 115.877 -0.601 . . . . 73.12 111.544 174.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.666 ' HD3' HD11 ' A' ' 33' ' ' ILE . 9.9 mmt85 -56.07 -46.85 78.84 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.662 0.785 . . . . 62.11 111.839 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -62.47 -39.81 94.61 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.329 0.652 . . . . 65.4 111.968 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.5 t -71.21 -49.51 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 C-N-CA 122.728 0.411 . . . . 75.25 111.543 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 70.6 mt -62.79 -39.11 93.22 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.469 1.108 . . . . 72.03 112.282 -177.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 p -83.49 -5.02 59.04 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.027 0.531 . . . . 51.15 112.392 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.61 16.83 78.66 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 114.73 0.652 . . . . 73.44 114.73 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.66 -46.94 74.06 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.327 0.651 . . . . 74.23 110.847 174.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 57.0 mt -108.9 119.71 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 108.353 -0.98 . . . . 72.32 108.353 169.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 74.9 p -73.41 149.81 89.03 Favored Pre-proline 0 N--CA 1.484 1.236 0 C-N-CA 122.923 0.489 . . . . 75.13 111.83 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -42.91 -38.82 7.24 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 124.407 3.404 . . . . 43.33 115.311 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.99 -47.35 83.49 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.629 0.771 . . . . 74.11 111.895 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -39.51 61.75 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.65 0.78 . . . . 62.1 112.357 -175.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 tp -72.06 -27.82 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 120.86 0.362 . . . . 42.12 111.332 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.32 -46.29 50.29 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.089 0.556 . . . . 72.54 111.606 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.9 m -77.02 -16.28 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 122.9 0.48 . . . . 74.31 112.067 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.534 ' SD ' ' HG2' ' A' ' 100' ' ' MET . 41.4 ttm -67.88 136.41 54.0 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.821 0.449 . . . . 51.31 110.016 171.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.1 p -75.0 155.01 37.8 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.567 0.347 . . . . 72.51 111.184 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -57.32 -32.55 66.81 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.915 0.886 . . . . 75.44 112.575 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -59.43 -51.38 70.15 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.846 0.859 . . . . 75.53 111.416 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.58 -36.99 79.49 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.543 -0.753 . . . . 73.51 111.589 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.534 ' HG2' ' SD ' ' A' ' 95' ' ' MET . 41.5 mtm -62.52 -40.34 96.46 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.805 0.442 . . . . 73.41 110.851 175.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.33 -30.24 67.15 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.536 0.734 . . . . 73.04 112.258 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.2 t -67.82 119.12 12.0 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.994 0.518 . . . . 44.43 111.455 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.61 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 5.0 p-10 -65.62 -25.65 67.48 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.561 0.578 . . . . 74.53 112.561 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -75.55 -51.15 13.58 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 122.991 0.516 . . . . 73.33 111.036 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 66.0 mt -68.46 -30.01 68.78 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 114.419 1.266 . . . . 75.11 114.419 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.61 ' HE3' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -71.65 -8.59 55.02 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 113.171 0.804 . . . . 72.42 113.171 175.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.498 ' HG3' ' HD2' ' A' ' 106' ' ' LYS . 45.3 mt-10 -116.54 -5.66 11.68 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.96 0.904 . . . . 70.23 112.332 171.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 49.6 mm -101.09 93.97 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 C-N-CA 123.086 0.554 . . . . 74.01 109.583 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.4 mtp85 -98.31 -59.65 1.71 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.43 0.692 . . . . 71.54 111.847 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -122.51 10.35 9.77 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.82 0.448 . . . . 71.12 110.819 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.07 102.57 9.4 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.335 0.654 . . . . 71.32 110.786 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 4.2 tpt 66.75 11.86 8.49 Favored 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 124.839 1.255 . . . . 63.03 112.439 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.492 1.645 0 C-N-CA 123.958 0.903 . . . . 71.25 112.418 -175.532 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 120.443 0.163 . . . . 74.23 111.353 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -69.28 98.6 1.07 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.12 0.568 . . . . 72.51 111.115 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.1 ttm -86.19 118.38 70.3 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 123.099 0.56 . . . . 53.41 109.602 173.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -73.66 -164.99 0.23 Allowed 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.836 2.357 . . . . 63.03 112.981 -176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.87 119.78 57.81 Favored Pre-proline 0 CA--C 1.563 1.479 0 C-N-CA 122.889 0.476 . . . . 75.21 111.646 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.62 161.3 34.12 Favored 'Trans proline' 0 C--N 1.366 1.486 0 C-N-CA 122.095 1.863 . . . . 64.15 110.671 167.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 m -64.72 147.95 12.2 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.125 0 CA-C-O 121.012 0.434 . . . . 60.32 111.161 174.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.475 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 65.6 p -70.73 109.51 4.99 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.069 0.547 . . . . 70.02 110.234 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.2 t -54.63 -41.84 70.51 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 124.204 1.002 . . . . 71.0 113.075 -173.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -138.06 169.19 18.22 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.56 0.744 . . . . 72.5 109.762 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.92 -18.96 38.22 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.211 1.005 . . . . 53.53 112.45 173.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.2 t -53.53 -61.05 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 124.054 0.942 . . . . 64.32 111.792 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 53.1 ttt180 -72.56 -34.68 67.65 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.908 0.483 . . . . 75.13 111.314 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.48 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 22.5 t-20 -60.75 -48.53 81.37 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.096 0.558 . . . . 74.01 111.506 -177.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -57.78 -35.73 71.19 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.736 0.814 . . . . 72.13 111.748 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.4 m -59.87 -53.24 60.26 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.381 0.672 . . . . 75.11 110.993 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -55.34 -43.24 74.78 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.194 0.998 . . . . 62.12 111.954 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 13.3 mm-40 -60.82 -47.22 87.33 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.861 0.864 . . . . 71.21 112.429 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.4 mtm -70.53 -30.98 67.87 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.404 0.682 . . . . 64.45 111.976 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.73 -42.2 91.33 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.929 0.491 . . . . 74.42 111.081 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -66.4 -39.94 89.33 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.034 0.533 . . . . 74.31 110.949 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.8 78.43 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.984 0.914 . . . . 70.35 111.62 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -65.6 -39.06 91.14 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.531 0.732 . . . . 65.33 111.238 173.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.6 mt -74.26 -15.82 60.97 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.386 0.675 . . . . 74.11 112.329 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -115.98 14.41 16.11 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.043 0.937 . . . . 75.32 112.569 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 t -62.89 -40.85 98.81 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.593 0.59 . . . . 51.42 112.593 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -109.94 8.39 24.21 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.351 0.66 . . . . 73.1 110.753 169.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.4 m80 59.05 36.69 24.38 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.178 1.391 . . . . 74.43 111.487 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.91 -32.76 69.84 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.0 1.32 . . . . 61.1 113.105 -171.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -63.31 -23.96 67.65 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.322 0.649 . . . . 60.33 112.235 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.31 -51.81 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.678 0.791 . . . . 74.32 111.29 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.96 -33.91 69.37 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.657 0.783 . . . . 74.03 112.387 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.509 HG21 ' HA ' ' A' ' 84' ' ' CYS . 59.5 mt -84.09 -32.56 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 C-N-CA 123.415 0.686 . . . . 61.12 111.283 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.52 28.63 29.3 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 114.238 0.455 . . . . 34.31 114.238 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.69 147.07 37.56 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.806 0.842 . . . . 63.41 110.898 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -83.2 114.88 21.66 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.638 0.375 . . . . 73.53 110.48 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.0 p -73.43 -26.44 60.95 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.781 0.832 . . . . 63.1 112.893 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.94 -40.88 78.71 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.864 0.866 . . . . 60.43 112.132 -171.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -66.53 -34.25 77.48 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 115.683 -0.689 . . . . 72.43 111.246 174.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.78 -43.44 68.72 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.373 0.669 . . . . 65.44 111.336 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.3 p -65.81 -30.44 71.07 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.064 0.946 . . . . 64.11 111.87 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.58 -35.32 77.21 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.411 0.685 . . . . 74.24 111.582 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -74.69 -32.41 62.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.112 0.565 . . . . 70.45 111.624 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.95 -43.73 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 109.535 -0.542 . . . . 73.2 109.535 170.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG3' HH21 ' A' ' 13' ' ' ARG . 11.2 tp10 -57.87 -50.37 73.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.628 1.171 . . . . 72.34 111.788 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.96 -40.13 96.75 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 111.967 0.358 . . . . 75.11 111.967 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.7 m -65.9 -42.73 89.83 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.233 0.613 . . . . 73.03 112.482 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.2 tt -73.78 -32.44 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.418 0 C-N-CA 122.425 0.29 . . . . 71.2 110.825 175.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.65 -25.93 68.17 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.131 0.972 . . . . 71.42 113.133 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -56.59 -66.12 0.49 Allowed 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.048 0.539 . . . . 73.33 111.676 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -90.41 -44.17 9.81 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.637 0.775 . . . . 51.11 112.182 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.2 t -92.24 -12.81 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 123.691 0.796 . . . . 70.01 112.232 -168.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.7 30.34 1.05 Allowed Glycine 0 CA--C 1.549 2.182 0 N-CA-C 116.24 1.256 . . . . 64.52 116.24 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -77.53 -5.98 52.0 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.701 1.2 . . . . 74.5 111.989 169.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.4 p 64.98 24.49 12.65 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 126.313 1.845 . . . . 73.45 113.491 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.22 168.49 18.14 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 123.83 0.852 . . . . 74.43 110.309 170.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.1 ptm -55.39 -26.02 38.98 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.595 0.758 . . . . 75.23 112.581 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -55.63 -50.68 69.53 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.315 0.646 . . . . 72.42 110.98 171.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -65.62 -46.09 80.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.209 1.004 . . . . 74.23 112.025 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -60.9 -51.36 69.59 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.449 0.7 . . . . 74.31 111.763 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -73.26 -27.35 61.52 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.556 -0.747 . . . . 74.31 111.879 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 1.3 tpm_? -68.26 -44.71 75.01 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 117.686 0.221 . . . . 71.42 110.43 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.4 -48.74 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.359 0.664 . . . . 74.12 110.417 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HA ' HD12 ' A' ' 67' ' ' ILE . 47.8 mtm-85 -62.61 -34.19 76.52 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.059 0.544 . . . . 63.4 112.072 177.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.7 t -65.87 -42.51 90.25 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.268 0.627 . . . . 51.42 110.94 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.585 ' NH1' ' SD ' ' A' ' 100' ' ' MET . 33.6 mmt180 -54.89 -55.36 31.39 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.074 0.55 . . . . 52.14 109.625 175.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 64' ' ' ARG . 57.4 mt -52.45 -45.97 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 C-N-CA 124.593 1.157 . . . . 71.31 111.723 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 t -61.68 -42.51 99.02 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.947 0.899 . . . . 70.14 111.9 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -72.61 -34.33 67.3 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.279 0.632 . . . . 63.53 111.607 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 66' ' ' ARG . 96.0 mt -64.01 -41.08 97.59 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.599 0.76 . . . . 63.42 111.167 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -101.77 13.93 33.44 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.522 0.729 . . . . 63.22 112.34 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.0 145.2 56.66 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.267 0.627 . . . . 73.54 112.321 -174.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.11 79.58 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.471 0.708 . . . . 74.32 112.379 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' HE2' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -93.39 -11.51 32.09 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.369 0.668 . . . . 63.15 111.466 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -139.79 60.82 16.66 Favored Pre-proline 0 CA--C 1.576 1.974 0 C-N-CA 124.221 1.008 . . . . 71.51 111.114 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -75.95 -33.06 3.93 Favored 'Trans proline' 0 C--N 1.384 2.426 0 C-N-CA 122.448 2.099 . . . . 51.34 113.421 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -73.02 -14.64 61.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.424 1.09 . . . . 61.0 112.735 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 100' ' ' MET . 53.7 tp -52.51 -46.65 66.74 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.966 0.906 . . . . 64.13 112.732 -174.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.405 ' HB3' ' HB3' ' A' ' 70' ' ' LEU . 34.3 ptt-85 -67.66 -37.58 82.58 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.35 0.66 . . . . 63.33 111.743 173.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -71.88 -27.69 63.02 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.602 1.161 . . . . 62.11 111.243 -172.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.75 -34.78 77.51 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.844 0.857 . . . . 73.12 110.831 174.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.3 t -67.41 -43.25 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 CA-C-O 121.433 0.635 . . . . 51.11 110.024 172.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.13 -24.84 64.15 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.27 1.028 . . . . 73.13 112.255 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.509 ' HA ' HG21 ' A' ' 33' ' ' ILE . 38.9 t -85.03 -10.0 57.42 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.865 0.866 . . . . 70.22 111.797 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.12 18.85 62.04 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.522 -0.308 . . . . 74.24 113.789 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.3 -58.67 2.5 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.585 0.754 . . . . 65.13 110.778 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.5 mt -91.51 132.46 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.506 0.723 . . . . 64.02 109.636 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.7 p -82.87 150.94 63.17 Favored Pre-proline 0 N--CA 1.487 1.414 0 CA-C-N 117.569 0.168 . . . . 54.43 110.873 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -48.05 -36.59 28.41 Favored 'Trans proline' 0 C--N 1.379 2.158 0 C-N-CA 123.611 2.874 . . . . 74.04 115.345 174.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -70.7 -40.43 72.86 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 119.147 -0.454 . . . . 73.3 111.552 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -56.97 -53.2 60.75 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 122.917 0.487 . . . . 71.4 111.225 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.7 tp -67.5 -22.97 29.26 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.686 0 CA-C-N 115.954 -0.566 . . . . 74.41 111.69 -177.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.31 -32.59 26.26 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.879 0.871 . . . . 63.55 113.264 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.17 -34.96 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 112.367 0.506 . . . . 63.31 112.367 -175.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.3 mtm -66.87 145.09 55.84 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 122.553 0.341 . . . . 54.15 110.993 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.9 p -73.76 158.96 33.66 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.574 0.349 . . . . 63.52 110.373 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.2 t -57.64 -30.82 65.7 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.28 0.632 . . . . 72.33 111.682 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -64.57 -40.7 96.02 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.971 0.909 . . . . 72.23 111.771 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.11 -30.35 58.22 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.541 0.736 . . . . 74.13 111.931 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.585 ' SD ' ' NH1' ' A' ' 66' ' ' ARG . 82.5 mtp -67.07 -42.67 84.32 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.029 0.931 . . . . 74.11 111.286 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.65 -32.59 28.14 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.432 0.693 . . . . 72.52 112.036 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.9 m 63.02 126.76 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 125.773 1.629 . . . . 71.01 113.75 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.25 -33.24 75.53 Favored 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 123.579 0.751 . . . . 62.32 112.694 -175.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.13 -42.02 89.69 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.055 0.542 . . . . 65.11 110.584 173.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.13 -0.84 26.43 Favored 'General case' 0 CA--C 1.561 1.367 0 C-N-CA 124.194 0.998 . . . . 74.13 112.674 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -72.23 -31.52 65.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.8 -0.563 . . . . 72.12 111.401 166.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -107.14 -41.04 5.25 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.494 0.718 . . . . 62.11 112.034 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.9 mm -71.72 -45.21 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 123.056 0.542 . . . . 74.31 110.582 173.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 56.66 -90.87 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.075 1.35 . . . . 74.23 112.182 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.409 ' HE2' ' O ' ' A' ' 74' ' ' LYS . 69.4 mmtt -134.17 92.42 2.94 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.015 0.926 . . . . 71.23 109.002 176.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.71 -6.13 42.4 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.849 0.86 . . . . 42.32 112.082 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 51.1 tpp -66.51 107.84 2.21 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 124.095 0.958 . . . . 75.03 110.779 171.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 CA--C 1.566 1.571 0 C-N-CA 123.389 0.676 . . . . 61.11 111.21 -178.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 111.252 0.093 . . . . 73.54 111.252 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -68.33 93.12 0.45 Allowed 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 122.168 0.985 . . . . 63.32 111.831 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.4 mtt -119.84 128.63 25.77 Favored Pre-proline 0 CA--C 1.552 1.04 0 CA-C-N 115.117 -0.947 . . . . 71.23 109.665 175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.53 141.2 94.74 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.337 2.025 . . . . 75.41 110.923 170.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.4 t -52.88 105.44 0.53 Allowed Pre-proline 0 N--CA 1.495 1.801 0 C-N-CA 124.135 0.974 . . . . 74.02 112.228 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -75.34 179.61 6.0 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 123.077 2.518 . . . . 62.22 114.834 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.6 m -93.24 168.05 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 124.726 1.21 . . . . 75.1 112.785 -173.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.7 m -60.48 116.72 4.53 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.834 0.854 . . . . 65.1 111.919 175.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.9 m -106.55 122.44 46.32 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.021 0.929 . . . . 64.43 110.116 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 64.48 9.19 4.82 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 114.953 1.464 . . . . 70.24 114.953 172.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.6 -21.43 0.19 Allowed 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 125.489 1.516 . . . . 53.35 114.836 -178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -62.32 -47.12 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 124.217 1.007 . . . . 43.45 111.657 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.449 HH22 ' CD ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -70.93 -29.49 65.54 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.218 -0.901 . . . . 72.34 112.157 -178.482 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.59 -38.27 90.43 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.718 0.407 . . . . 74.31 110.414 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -63.48 -44.17 95.17 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 123.644 0.59 . . . . 73.11 111.145 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.8 t -57.09 -49.99 74.18 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.748 0.419 . . . . 71.2 111.335 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -59.63 -50.56 73.41 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.977 0.911 . . . . 74.31 112.27 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.4 -33.25 74.79 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 112.439 0.533 . . . . 64.02 112.439 -175.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.461 ' HB3' HD13 ' A' ' 67' ' ' ILE . 51.3 mtm -75.25 -38.89 60.32 Favored 'General case' 0 CA--C 1.562 1.417 0 N-CA-C 112.663 0.616 . . . . 75.21 112.663 177.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.61 -37.55 87.77 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 123.074 0.55 . . . . 71.24 110.416 171.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.0 m -64.64 -42.02 95.73 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.002 0.921 . . . . 75.14 110.814 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.91 -30.84 71.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.928 0.891 . . . . 62.44 111.77 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.541 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -64.34 -41.45 96.77 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.068 0.547 . . . . 71.13 110.94 171.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -76.38 -8.85 57.99 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.469 0.708 . . . . 71.24 112.377 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -115.1 -7.46 12.47 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 124.18 0.992 . . . . 74.13 112.952 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 t -65.11 -29.32 70.17 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 112.778 0.659 . . . . 65.22 112.778 -169.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -108.85 -3.39 17.7 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.167 0.987 . . . . 62.32 110.543 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.4 m80 62.28 25.57 15.29 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 124.672 1.189 . . . . 73.21 110.291 -163.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -59.81 -39.08 83.82 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.889 1.676 . . . . 64.34 112.86 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -67.62 -32.32 72.96 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 112.012 0.375 . . . . 72.0 112.012 176.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -69.06 -43.22 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 C-N-CA 123.329 0.652 . . . . 63.24 110.68 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.75 -31.07 69.85 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.243 -0.89 . . . . 64.43 112.316 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.4 mt -85.68 -28.48 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.164 0.586 . . . . 73.32 111.803 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.32 56.13 3.08 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-O 120.921 0.178 . . . . 74.13 112.968 -175.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.61 136.32 50.52 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.138 0.975 . . . . 52.22 111.408 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 7.1 m-20 -74.58 92.3 2.39 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.375 0.67 . . . . 51.51 110.303 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.9 p -63.05 -52.06 64.29 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 114.095 1.146 . . . . 54.24 114.095 -166.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.38 -25.45 66.79 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 111.858 0.318 . . . . 61.12 111.858 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -74.24 -43.42 57.11 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.437 1.095 . . . . 63.14 111.614 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 42.6 mt -66.14 -51.16 60.48 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.754 -0.462 . . . . 55.21 109.754 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -58.1 -30.78 66.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.871 1.268 . . . . 74.15 112.574 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 46' ' ' GLU . . . -65.11 -57.32 8.9 Favored 'General case' 0 C--O 1.209 -1.069 0 N-CA-C 109.638 -0.505 . . . . 44.34 109.638 171.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.486 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . 46.5 mt-30 -57.44 -25.6 59.91 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 123.526 0.73 . . . . 73.32 112.699 -178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.422 HG23 ' HA ' ' A' ' 93' ' ' ALA . 90.8 mt -74.67 -49.04 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.379 0 C-N-CA 123.974 0.91 . . . . 75.23 111.047 168.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -67.18 -47.23 71.58 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.489 0.716 . . . . 74.42 111.859 -171.697 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' CD ' HH22 ' A' ' 13' ' ' ARG . 3.1 mm-40 -52.66 -34.76 53.07 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.113 0.565 . . . . 54.54 111.061 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.9 m -77.17 -50.28 13.31 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.45 0.7 . . . . 53.4 112.756 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 45' ' ' GLU . 12.5 tt -66.79 -25.78 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 122.065 -0.397 . . . . 72.51 111.042 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.675 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 62.0 t80 -70.22 -27.81 64.77 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.699 0.799 . . . . 71.43 111.476 175.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -71.43 -54.8 9.47 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.466 0.306 . . . . 73.43 110.993 173.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.37 -56.6 4.84 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.969 0.729 . . . . 45.42 112.969 -173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.76 -21.4 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 C-N-CA 123.126 0.57 . . . . 75.23 111.704 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.675 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -76.41 33.01 1.36 Allowed Glycine 0 N--CA 1.476 1.318 0 N-CA-C 116.561 1.384 . . . . 41.52 116.561 -169.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -73.92 3.07 7.27 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 123.312 0.645 . . . . 62.24 111.727 170.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p 58.47 24.25 11.61 Favored 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 126.172 1.789 . . . . 61.05 113.339 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -73.96 -58.02 3.58 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 123.909 0.884 . . . . 71.45 112.69 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.3 ttm -172.59 -61.9 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.033 0.933 . . . . 73.42 110.394 -175.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -57.05 -31.8 65.55 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.006 0.922 . . . . 75.31 112.664 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.8 t80 -53.49 -54.39 37.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.443 1.097 . . . . 74.01 112.094 176.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.46 -35.97 82.64 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.942 -0.572 . . . . 74.52 112.011 -175.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -75.26 -33.22 61.26 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.098 0.559 . . . . 63.51 111.896 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -61.06 -46.23 91.52 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.257 0.623 . . . . 75.44 110.853 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 59' ' ' TYR . 53.9 t -63.23 -49.45 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 O-C-N 123.971 0.794 . . . . 63.21 110.921 178.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -51.17 -50.34 59.18 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 123.928 0.891 . . . . 61.33 112.497 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.7 t -69.91 -35.42 74.57 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.964 -0.562 . . . . 30.32 111.995 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -64.52 -48.35 75.44 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.068 0.547 . . . . 73.3 111.069 -175.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.68 HG22 ' HE3' ' A' ' 71' ' ' LYS . 58.8 mt -58.78 -41.72 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.67 1.188 . . . . 53.32 111.14 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -63.6 -35.79 81.66 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 115.706 -0.679 . . . . 72.2 111.725 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -75.49 -29.68 59.63 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.789 0.835 . . . . 62.4 111.785 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.69 -54.47 19.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.245 0.618 . . . . 72.24 110.781 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.68 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.8 ptpt -80.36 4.77 16.83 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.721 0.808 . . . . 72.43 112.381 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.63 129.62 40.5 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.89 0.876 . . . . 73.05 111.733 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.82 -23.36 59.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.497 0.719 . . . . 74.22 112.002 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -76.33 -30.9 57.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.123 0.569 . . . . 72.24 111.348 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -140.73 77.72 21.72 Favored Pre-proline 0 CA--C 1.562 1.442 0 C-N-CA 123.216 0.606 . . . . 72.31 111.127 173.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -83.4 -13.81 8.43 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.619 2.212 . . . . 74.51 112.841 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.51 -24.2 65.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.326 1.05 . . . . 72.05 112.468 174.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.43 HD21 ' SD ' ' A' ' 100' ' ' MET . 38.0 tp -54.26 -41.8 69.21 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.364 0.666 . . . . 73.51 111.455 175.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -73.78 -49.18 26.63 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.017 0.527 . . . . 74.34 111.662 171.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -56.87 -39.6 74.62 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.382 0.882 . . . . 65.01 113.382 -171.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -68.28 -33.92 75.22 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.898 0.479 . . . . 75.34 112.053 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.4 t -75.31 -41.52 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-O 121.115 0.483 . . . . 65.44 110.854 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.459 HD23 HD12 ' A' ' 40' ' ' LEU . 86.7 mt -66.78 -35.16 79.44 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.994 0.918 . . . . 63.31 112.134 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.5 m -81.57 -6.02 58.58 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.467 0.707 . . . . 75.13 112.275 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.76 21.47 68.7 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 114.499 0.56 . . . . 62.31 114.499 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.92 -61.17 1.97 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.673 0.789 . . . . 52.23 111.093 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 55.9 mt -84.95 119.45 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 109.215 -0.661 . . . . 75.12 109.215 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.5 p -74.82 146.44 82.93 Favored Pre-proline 0 CA--C 1.558 1.276 0 CA-C-O 119.301 -0.381 . . . . 43.04 111.351 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.486 ' HB3' ' HB3' ' A' ' 43' ' ' GLN . 11.6 Cg_exo -39.01 -42.87 2.17 Favored 'Trans proline' 0 C--N 1.385 2.473 0 C-N-CA 125.214 3.942 . . . . 75.42 116.95 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -46.91 72.98 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.988 0.515 . . . . 74.12 110.193 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -62.12 -52.98 61.7 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.805 0.842 . . . . 64.42 111.88 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.6 tp -61.08 -43.41 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 122.937 0.495 . . . . 74.23 111.843 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HA ' HG23 ' A' ' 44' ' ' ILE . . . -54.26 -45.96 72.53 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.432 0.693 . . . . 74.22 112.801 -176.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 m -97.02 -3.31 10.13 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 N-CA-C 113.16 0.8 . . . . 72.4 113.16 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 40.1 ttp -68.69 129.81 41.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.819 0.448 . . . . 62.0 111.863 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.1 p -78.87 163.58 25.18 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.742 0.817 . . . . 74.32 112.219 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.1 p -59.51 -29.28 67.75 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 123.758 0.823 . . . . 61.44 112.297 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -62.44 -50.7 70.43 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.342 1.057 . . . . 75.13 110.975 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -72.99 -31.73 64.7 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 114.721 -1.127 . . . . 60.45 112.67 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.43 ' SD ' HD21 ' A' ' 78' ' ' LEU . 66.7 mtm -69.52 -30.5 68.36 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.754 0.422 . . . . 61.44 111.544 177.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.06 -2.57 52.68 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.425 0.69 . . . . 73.43 112.178 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.3 t -146.2 94.08 2.41 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 121.355 0.597 . . . . 74.23 111.626 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -68.3 -17.24 64.22 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.975 0.91 . . . . 74.34 111.888 171.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -61.77 -57.43 11.92 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.394 1.078 . . . . 63.5 111.545 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.52 -11.73 46.29 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 113.973 1.101 . . . . 75.55 113.973 -174.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -59.49 -48.33 82.07 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.115 0.966 . . . . 62.0 112.795 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -108.3 2.71 22.82 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 112.351 0.5 . . . . 73.45 112.351 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 49.9 mm -84.91 85.2 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 108.35 -0.982 . . . . 51.31 108.35 168.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -133.88 -51.94 0.85 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.986 0.914 . . . . 73.43 111.278 -171.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -63.37 -50.74 68.75 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.006 0.522 . . . . 73.24 110.244 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.53 87.7 3.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.78 0.832 . . . . 73.23 109.385 173.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 24.6 ttt -148.7 117.5 6.67 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 122.853 0.461 . . . . 74.24 111.084 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 N--CA 1.492 1.639 0 C-N-CA 124.035 0.934 . . . . 73.43 110.31 176.171 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 120.638 0.256 . . . . 73.43 111.654 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -89.67 152.89 21.13 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.454 0.702 . . . . 71.25 111.208 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.453 ' N ' ' SD ' ' A' ' 3' ' ' MET . 1.3 mpt? -75.23 109.31 7.27 Favored Pre-proline 0 CA--C 1.556 1.187 0 C-N-CA 123.328 0.651 . . . . 72.43 109.276 172.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -67.06 178.8 2.68 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.598 2.199 . . . . 43.21 113.591 -173.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.1 t -68.39 114.68 23.19 Favored Pre-proline 0 CA--C 1.564 1.481 0 C-N-CA 123.514 0.725 . . . . 63.14 111.168 -173.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.754 ' HD2' ' HB3' ' A' ' 46' ' ' GLU . 38.2 Cg_exo -61.39 176.44 1.15 Allowed 'Trans proline' 0 C--N 1.384 2.402 0 C-N-CA 123.238 2.625 . . . . 63.34 114.725 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 m -103.49 166.19 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.175 0.99 . . . . 74.4 111.143 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.506 ' HA ' ' NH1' ' A' ' 13' ' ' ARG . 81.7 p -75.08 138.33 42.04 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.062 0.545 . . . . 61.22 111.75 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.3 t -89.81 -65.39 1.02 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.025 0.53 . . . . 73.13 111.36 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -144.3 167.6 22.06 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.648 0.779 . . . . 73.01 110.076 -173.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 14' ' ' ASN . . . -59.96 -18.26 44.13 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.392 1.077 . . . . 54.25 113.796 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.3 t -57.77 -61.33 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.916 0.486 . . . . 72.54 111.005 173.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.506 ' NH1' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -72.06 -34.41 68.72 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.314 -0.403 . . . . 74.22 111.192 -179.766 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.7 t-20 -55.98 -50.82 69.75 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.768 0.427 . . . . 71.34 111.511 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.39 -33.24 75.49 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 123.509 0.506 . . . . 75.42 111.795 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.2 m -64.15 -41.14 97.3 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.802 0.441 . . . . 45.4 111.613 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -59.05 -45.35 90.97 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.277 0.631 . . . . 61.21 110.876 171.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 25.0 mm-40 -61.0 -34.41 74.76 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.807 0.443 . . . . 72.1 111.98 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.4 mtm -75.69 -30.85 59.49 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.0 0.52 . . . . 70.41 112.187 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.09 -38.2 85.29 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.882 0.473 . . . . 73.53 110.38 171.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 m -64.26 -42.05 96.65 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.822 0.849 . . . . 61.44 110.353 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.0 71.64 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.909 0.884 . . . . 75.21 112.041 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -69.99 -43.53 71.27 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.467 0.707 . . . . 74.34 111.091 171.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 95.7 mt -77.08 -9.29 58.63 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 113.284 0.846 . . . . 70.24 113.284 -178.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -122.61 18.3 10.39 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.502 0.721 . . . . 75.45 111.148 175.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 t -58.17 -26.66 63.02 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 123.794 0.837 . . . . 73.54 113.155 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -127.02 9.57 6.85 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.51 0.724 . . . . 64.15 110.563 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 m80 57.35 23.23 8.66 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.203 1.001 . . . . 74.34 110.921 -166.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.64 -24.48 66.75 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.157 1.783 . . . . 74.04 114.238 -169.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -57.78 -27.89 63.49 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.376 0.67 . . . . 73.34 112.564 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -66.65 -38.66 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 C-N-CA 123.955 0.902 . . . . 75.2 111.732 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.78 -31.25 68.22 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.089 0.955 . . . . 75.13 112.897 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.468 HD13 ' SG ' ' A' ' 84' ' ' CYS . 67.4 mt -101.04 -23.62 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 123.99 0.916 . . . . 62.35 110.956 178.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.72 27.63 41.52 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-N 116.344 -0.389 . . . . 73.21 113.766 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.06 151.25 21.1 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.965 0.906 . . . . 75.31 112.661 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -90.11 88.57 7.32 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.76 0.824 . . . . 73.15 109.753 174.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 26.7 p -68.91 -38.73 79.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.976 0.91 . . . . 61.4 113.435 -170.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -33.47 75.26 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 122.59 0.356 . . . . 74.52 111.625 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -68.27 -42.68 79.23 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.537 0.735 . . . . 75.43 109.696 174.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 44' ' ' ILE . 96.3 mt -58.3 -45.97 87.0 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.915 0.486 . . . . 74.32 111.106 174.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -56.41 -41.01 75.62 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.269 1.028 . . . . 73.43 112.509 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -47.11 87.44 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.851 -0.613 . . . . 71.32 111.409 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -63.85 -44.92 91.71 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.593 0.757 . . . . 75.3 112.271 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 40' ' ' LEU . 85.2 mt -60.38 -50.92 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.111 0.964 . . . . 74.02 110.66 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -62.58 -48.46 79.38 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.843 -0.617 . . . . 64.4 111.498 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.754 ' HB3' ' HD2' ' A' ' 6' ' ' PRO . 28.3 mm-40 -62.67 -31.76 72.7 Favored 'General case' 0 CA--C 1.556 1.178 0 N-CA-C 113.216 0.821 . . . . 73.2 113.216 -176.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.8 m -62.03 -50.04 73.59 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.814 0.446 . . . . 64.12 112.104 172.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.638 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 10.3 tt -77.56 -25.17 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 C-N-CA 123.101 0.56 . . . . 71.12 111.572 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -62.21 -30.75 71.3 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.401 1.08 . . . . 73.34 112.63 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -57.54 -50.02 74.44 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 123.624 0.77 . . . . 74.35 111.984 -174.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -90.02 -55.51 3.59 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.562 0.696 . . . . 72.31 112.268 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.493 HG13 ' HE2' ' A' ' 58' ' ' LYS . 77.0 t -79.71 -25.26 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 124.072 0.949 . . . . 73.24 112.891 -167.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.18 24.28 1.11 Allowed Glycine 0 CA--C 1.545 1.95 0 N-CA-C 115.751 1.061 . . . . 61.23 115.751 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.522 HD21 ' HD3' ' A' ' 58' ' ' LYS . 25.8 p30 -66.31 -17.21 64.62 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.059 1.344 . . . . 64.22 112.063 166.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.6 p 60.71 20.3 10.33 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 126.062 1.745 . . . . 74.44 114.224 172.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -66.35 -66.64 0.53 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.761 0.424 . . . . 74.32 111.328 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -153.14 -42.37 0.1 Allowed 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 122.935 0.494 . . . . 73.32 111.487 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.541 ' O ' ' HG2' ' A' ' 62' ' ' ARG . 21.4 ptmt -52.83 -46.31 67.71 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.478 0.711 . . . . 53.31 112.198 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 87.2 t80 -56.68 -45.26 81.83 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.071 0.948 . . . . 73.21 112.534 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.529 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 10.7 mmpt? -55.73 -44.97 78.01 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.68 0.792 . . . . 74.04 111.654 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -69.58 -39.72 77.14 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.805 -0.634 . . . . 71.2 111.652 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 24.4 mmt85 -66.71 -33.86 76.58 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 122.782 0.433 . . . . 71.24 111.737 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 59' ' ' TYR . 81.0 t -64.16 -48.77 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.189 0.596 . . . . 63.11 110.733 174.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -58.53 -45.17 89.42 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.704 0.401 . . . . 73.5 111.229 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.3 m -62.99 -38.63 91.95 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.964 0.905 . . . . 74.32 111.746 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -67.88 -52.83 32.0 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.655 0.382 . . . . 75.34 110.711 -178.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.469 HG23 ' HB2' ' A' ' 23' ' ' ALA . 93.8 mt -54.69 -43.43 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 124.504 1.122 . . . . 70.21 111.392 175.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.7 t -57.58 -49.75 75.39 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.003 0.921 . . . . 72.1 111.903 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 13.4 m120 -67.68 -31.85 72.1 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.193 0.597 . . . . 73.42 112.225 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.97 -40.72 91.5 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.013 0.525 . . . . 53.04 111.511 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 18.8 ptpt -102.31 14.91 30.7 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 123.4 0.68 . . . . 75.15 112.098 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.464 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 27.1 t70 -65.31 141.06 58.72 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.641 0.776 . . . . 74.25 112.514 -173.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.88 -19.16 27.74 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.432 0.693 . . . . 73.44 112.353 -177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -88.91 -23.17 22.79 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.007 0.523 . . . . 64.21 111.325 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.536 HD22 ' HB2' ' A' ' 78' ' ' LEU . 5.2 t30 -143.92 73.21 16.7 Favored Pre-proline 0 CA--C 1.569 1.684 0 C-N-CA 123.291 0.636 . . . . 65.34 109.619 174.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.27 -26.25 9.15 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 123.615 2.877 . . . . 72.42 114.171 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -66.01 -18.15 65.15 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.059 0.944 . . . . 71.23 113.198 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.536 ' HB2' HD22 ' A' ' 75' ' ' ASN . 22.7 tp -52.34 -52.45 53.25 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.344 1.058 . . . . 61.3 112.598 -175.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.418 ' HG3' HD23 ' A' ' 24' ' ' LEU . 37.8 ttp-105 -58.6 -41.35 85.6 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.745 -1.116 . . . . 73.22 111.241 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -69.17 -32.65 72.12 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.458 1.103 . . . . 73.25 111.86 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -70.24 -34.92 73.44 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.368 0.667 . . . . 51.41 111.614 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.84 -40.94 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.118 0.567 . . . . 54.32 110.443 173.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 79' ' ' ARG . 71.9 mt -63.77 -35.79 81.75 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.634 0.773 . . . . 63.34 111.98 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 33' ' ' ILE . 86.4 m -80.89 -13.67 58.7 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.337 0.655 . . . . 52.21 112.444 177.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.86 75.35 Favored Glycine 0 N--CA 1.476 1.306 0 N-CA-C 114.079 0.392 . . . . 71.34 114.079 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.35 -38.81 78.29 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.44 0.696 . . . . 71.21 110.682 173.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 55.8 mt -103.66 129.28 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.846 0.858 . . . . 71.5 109.797 175.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.4 p -78.4 151.97 78.23 Favored Pre-proline 0 N--CA 1.486 1.345 0 C-N-CA 122.935 0.494 . . . . 43.21 110.986 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -50.54 -34.41 42.42 Favored 'Trans proline' 0 C--N 1.382 2.317 0 C-N-CA 123.433 2.756 . . . . 55.24 114.249 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -67.73 -44.86 76.59 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.742 0.817 . . . . 74.31 111.494 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -55.35 22.07 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.35 0.66 . . . . 54.32 111.947 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.4 tp -63.96 -34.63 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 C-N-CA 123.086 0.554 . . . . 62.1 112.253 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.638 ' HB1' ' HB ' ' A' ' 48' ' ' ILE . . . -59.2 -48.75 80.46 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.05 0.54 . . . . 50.14 112.395 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.2 m -99.13 8.61 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.468 0.707 . . . . 64.31 112.027 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 59.7 ttm -63.83 128.37 35.51 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.121 0.568 . . . . 75.53 111.918 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.1 p -89.6 160.37 16.7 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.188 0.595 . . . . 70.12 110.803 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.8 p -59.04 -36.22 74.66 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 124.052 0.941 . . . . 71.42 112.456 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.45 -50.21 64.13 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.264 1.026 . . . . 64.43 110.844 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.21 -40.85 94.71 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.898 1.279 . . . . 73.15 111.909 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -66.9 -53.94 27.15 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.907 1.283 . . . . 64.0 111.681 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.53 6.84 19.04 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.791 0.836 . . . . 51.25 113.231 -174.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.8 t -70.37 108.74 4.38 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 111.952 0.353 . . . . 73.13 111.952 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -66.2 -22.15 66.34 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.522 0.729 . . . . 63.51 112.451 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -78.65 -51.53 9.73 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.324 0.65 . . . . 74.34 111.505 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 41.7 mt -69.39 -3.5 14.52 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 114.51 1.3 . . . . 73.35 114.51 -170.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -54.02 -36.23 62.79 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.37 1.068 . . . . 73.41 112.328 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -128.6 15.68 6.49 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.454 0.701 . . . . 34.34 112.433 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.9 mm -89.99 116.16 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 122.015 -0.428 . . . . 75.22 110.241 176.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -73.49 118.52 16.54 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.805 0.842 . . . . 62.22 110.669 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.448 ' HD2' ' H ' ' A' ' 113' ' ' THR . 4.8 tmtp? 72.96 -62.78 0.46 Allowed 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 125.901 1.68 . . . . 74.21 111.091 -178.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 78.82 -49.61 0.44 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 125.577 1.551 . . . . 51.34 113.916 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 49.5 ttm -70.0 -69.36 0.36 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.528 0.731 . . . . 51.33 111.828 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.448 ' H ' ' HD2' ' A' ' 110' ' ' LYS . 35.5 p . . . . . 0 CA--C 1.564 1.516 0 C-N-CA 123.929 0.892 . . . . 74.33 111.129 -176.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 110.201 -0.296 . . . . 61.05 110.201 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -157.08 138.33 13.73 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.673 0.789 . . . . 52.25 109.997 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.1 mtt 62.92 91.55 0.08 OUTLIER Pre-proline 0 N--CA 1.485 1.291 0 C-N-CA 124.491 1.116 . . . . 73.41 111.486 -171.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.24 156.15 59.63 Favored 'Trans proline' 0 C--N 1.372 1.791 0 C-N-CA 122.651 2.234 . . . . 74.12 112.353 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.0 m -77.21 151.83 81.49 Favored Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 122.817 0.447 . . . . 62.45 111.26 176.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -73.18 156.16 51.45 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 122.459 2.106 . . . . 73.02 113.168 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.98 166.92 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 115.078 -0.965 . . . . 75.3 110.013 169.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.4 m -61.1 100.33 0.12 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 122.919 0.488 . . . . 53.11 110.546 175.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.8 m -61.53 -51.57 68.05 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.935 0.894 . . . . 74.13 111.821 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -158.4 -173.88 4.52 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 114.992 -1.004 . . . . 71.51 111.045 -173.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.99 87.49 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.768 0.827 . . . . 64.34 112.821 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.8 t -71.17 -47.39 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 122.86 0.464 . . . . 61.32 110.228 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -60.38 -34.63 74.17 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.545 -0.752 . . . . 74.24 111.76 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.39 -55.46 34.75 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.506 0.723 . . . . 73.4 110.692 176.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 9.7 mptt -69.33 -43.54 73.49 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.148 -0.933 . . . . 74.04 112.224 -175.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m -61.72 -42.51 99.05 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.913 0.485 . . . . 50.43 111.682 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.477 HH21 ' HG2' ' A' ' 38' ' ' GLU . 77.7 ttt180 -64.39 -51.39 63.48 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.996 0.518 . . . . 74.31 111.862 176.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' HG2' ' HA ' ' A' ' 15' ' ' LYS . 12.1 pt-20 -68.11 -32.75 73.27 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 112.433 0.531 . . . . 75.42 112.433 -175.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.617 ' SD ' HD11 ' A' ' 67' ' ' ILE . 22.5 ptp -75.8 -32.27 59.81 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 112.504 0.557 . . . . 75.44 112.504 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.03 -38.46 72.6 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 110.13 -0.322 . . . . 75.05 110.13 171.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.495 HG22 HE21 ' A' ' 25' ' ' GLN . 54.0 m -62.59 -35.53 79.82 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.361 0.664 . . . . 71.42 110.825 171.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.589 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -67.3 -36.04 80.69 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.095 0.958 . . . . 70.21 111.712 176.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.13 -27.85 67.66 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.588 0.755 . . . . 70.3 111.824 173.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -82.02 -29.43 31.99 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.509 0.723 . . . . 51.22 112.329 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.589 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 9.9 pt20 -103.33 12.36 35.52 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 123.691 0.797 . . . . 71.04 112.191 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -55.98 -37.67 69.39 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.135 0.974 . . . . 62.01 112.428 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.76 -87.99 0.45 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.427 0.691 . . . . 73.32 109.288 170.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -174.47 18.6 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 CA-C-N 118.601 0.637 . . . . 75.33 111.815 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.81 -40.89 76.81 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 125.461 1.504 . . . . 63.12 114.656 -162.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -63.9 -25.5 68.18 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.192 0.597 . . . . 74.53 112.167 -173.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.3 t -73.49 -48.01 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.509 0.724 . . . . 73.13 111.127 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.08 70.17 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.688 0.795 . . . . 71.0 112.585 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.531 HD11 ' HG3' ' A' ' 80' ' ' ARG . 70.4 mt -86.92 -31.48 6.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 123.606 0.763 . . . . 63.4 111.407 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.49 45.46 8.66 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 116.524 -0.307 . . . . 73.11 113.445 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.16 129.52 27.62 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.591 0.756 . . . . 63.22 110.251 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.66 117.39 9.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.201 0.6 . . . . 54.4 111.122 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.7 p -72.99 -21.98 60.76 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 113.221 0.822 . . . . 30.05 113.221 -175.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.477 ' HG2' HH21 ' A' ' 17' ' ' ARG . 39.4 tt0 -66.95 -48.55 68.23 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.068 0.547 . . . . 72.42 112.008 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -67.12 -35.06 78.93 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.462 0.705 . . . . 71.11 112.173 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.426 ' O ' HG13 ' A' ' 44' ' ' ILE . 79.8 mt -65.71 -47.16 76.31 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.204 0.601 . . . . 54.11 110.48 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.446 ' HA ' HD12 ' A' ' 44' ' ' ILE . 45.3 t -63.51 -31.4 72.55 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.042 0.937 . . . . 75.01 112.241 175.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.81 -40.56 88.1 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.53 0.732 . . . . 73.11 111.37 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -70.17 -31.23 68.61 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 116.337 -0.392 . . . . 63.02 111.731 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 41' ' ' SER . 76.6 mt -60.97 -43.41 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 122.761 0.424 . . . . 64.31 110.091 171.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -57.19 -41.26 78.99 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.068 0.947 . . . . 74.04 112.917 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.44 -51.39 63.37 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.057 0.543 . . . . 75.41 111.879 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.97 -34.94 79.62 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.456 -0.793 . . . . 73.41 112.604 -175.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 tt -77.51 -35.17 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 109.957 -0.386 . . . . 52.45 109.957 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.76 -28.2 69.81 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.621 0.769 . . . . 63.44 112.877 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 -70.31 -39.55 74.75 Favored 'General case' 0 CA--C 1.557 1.214 0 O-C-N 121.665 -0.647 . . . . 73.35 111.618 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -86.09 -38.69 17.53 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.526 0.73 . . . . 71.43 111.577 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 58' ' ' LYS . 40.8 t -110.21 -9.8 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 124.42 1.088 . . . . 72.32 112.969 -163.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.63 5.01 0.19 Allowed Glycine 0 N--CA 1.489 2.193 0 N-CA-C 117.723 1.849 . . . . 72.2 117.723 -171.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -74.19 1.55 11.05 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 123.992 0.917 . . . . 73.24 111.596 165.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.1 p 61.25 -105.74 0.21 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.361 1.864 . . . . 65.13 111.369 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t70 60.06 -179.27 0.09 Allowed 'General case' 0 CA--C 1.578 2.04 0 CA-C-N 118.963 0.801 . . . . 72.5 111.713 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -22.92 64.09 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.508 -0.745 . . . . 72.02 111.732 169.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.656 ' HD2' HG13 ' A' ' 52' ' ' VAL . 2.6 tmtp? -56.5 -52.12 65.92 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.527 0.731 . . . . 72.33 110.406 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -65.93 -52.28 51.25 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.201 0.6 . . . . 75.14 111.92 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.02 -43.78 98.38 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.12 0.968 . . . . 72.54 112.907 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -76.51 -39.93 51.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.618 0.599 . . . . 75.23 112.618 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -66.12 -37.1 84.9 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.164 0.431 . . . . 75.31 112.164 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.435 HG12 ' SD ' ' A' ' 19' ' ' MET . 87.0 t -64.31 -55.22 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 122.535 0.334 . . . . 42.4 111.211 176.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -62.04 -31.82 72.26 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 112.24 0.459 . . . . 75.53 112.24 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 t -69.91 -49.21 54.35 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.595 0.758 . . . . 72.31 111.919 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -59.76 -31.43 69.65 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 112.949 0.722 . . . . 54.13 112.949 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.617 HD11 ' SD ' ' A' ' 19' ' ' MET . 69.0 mt -52.13 -50.22 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 123.211 0.604 . . . . 55.32 111.627 175.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.2 p -66.14 -37.3 85.35 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.24 0.616 . . . . 65.35 111.678 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.81 -40.87 92.28 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 123.947 0.899 . . . . 73.42 112.119 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.74 -44.22 82.08 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.616 0.766 . . . . 74.42 111.251 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.2 ptpt -84.57 -2.68 57.74 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.012 0.745 . . . . 72.53 113.012 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -71.99 143.52 49.17 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 120.951 0.405 . . . . 65.24 111.454 -175.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.51 -17.11 61.77 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 113.268 0.84 . . . . 65.23 113.268 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -72.45 -46.58 54.34 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 122.727 0.411 . . . . 72.21 110.045 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 101' ' ' ALA . 2.1 m-20 -124.11 76.23 59.47 Favored Pre-proline 0 CA--C 1.566 1.596 0 C-N-CA 123.393 0.677 . . . . 52.3 111.823 178.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.12 -26.49 7.63 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 122.09 1.86 . . . . 70.14 111.59 166.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.653 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 4.3 m-20 -67.25 -18.47 65.23 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.905 0.882 . . . . 72.44 112.346 174.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 75' ' ' ASN . 61.8 tp -59.15 -55.94 28.5 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.168 0.587 . . . . 75.23 110.92 175.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -73.99 -34.59 64.25 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.068 -0.515 . . . . 73.04 110.827 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.653 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 15.9 ttt180 -58.78 -41.66 87.18 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.219 1.008 . . . . 74.41 112.053 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -69.32 -31.75 70.41 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.042 0.537 . . . . 72.12 111.755 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 87' ' ' ILE . 52.6 t -66.43 -42.41 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-O 121.343 0.592 . . . . 63.43 110.443 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 68.7 mt -69.91 -30.9 68.43 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.145 0.978 . . . . 74.44 112.026 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.8 t -85.89 -15.24 42.39 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.571 0.748 . . . . 75.21 111.781 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.41 8.56 77.47 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 114.451 0.54 . . . . 74.13 114.451 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.9 -54.75 13.81 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.452 0.701 . . . . 30.11 110.426 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 82' ' ' VAL . 79.7 mt -89.93 123.0 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 108.333 -0.988 . . . . 60.14 108.333 167.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 91' ' ' GLN . 30.8 p -75.24 153.61 86.21 Favored Pre-proline 0 N--CA 1.48 1.053 0 C-N-CA 122.189 0.196 . . . . 74.54 110.979 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -52.07 -23.69 17.82 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 123.175 2.583 . . . . 64.41 114.13 170.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.52 -47.77 45.8 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.802 0.441 . . . . 54.55 111.06 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.409 ' HG2' ' OG1' ' A' ' 88' ' ' THR . 14.7 mm100 -60.41 -51.84 67.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.04 0.536 . . . . 75.13 111.571 -176.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.38 -23.14 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 N-CA-C 112.142 0.423 . . . . 72.53 112.142 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.36 -32.15 29.41 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.691 0.796 . . . . 74.55 112.762 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.7 m -95.54 -26.29 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 112.618 0.599 . . . . 75.24 112.618 -177.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 61.3 mtm -77.73 134.15 38.15 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.112 0.565 . . . . 75.21 111.495 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.4 p -76.38 165.56 24.66 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.139 0.575 . . . . 75.11 110.455 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.424 ' HA ' ' HB2' ' A' ' 100' ' ' MET . 32.4 p -56.37 -23.27 36.59 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 124.338 1.055 . . . . 71.54 113.652 -178.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -71.31 -43.58 66.82 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.465 0.706 . . . . 75.44 111.172 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -71.08 -35.4 71.86 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 123.952 0.901 . . . . 72.11 111.428 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.424 ' HB2' ' HA ' ' A' ' 97' ' ' SER . 69.7 mtp -66.67 -29.11 69.04 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.252 1.021 . . . . 75.31 111.037 175.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.424 ' HA ' ' ND2' ' A' ' 75' ' ' ASN . . . -82.61 -28.31 30.89 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.399 0.68 . . . . 72.11 111.346 171.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.1 m 65.51 61.44 0.7 Allowed 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 125.41 1.484 . . . . 73.03 111.175 -176.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -51.19 -39.84 57.35 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 125.567 1.547 . . . . 74.31 114.099 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.92 -40.43 68.8 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.503 0.721 . . . . 72.45 111.285 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.409 ' HA ' ' HB ' ' A' ' 108' ' ' ILE . 3.3 mm? -69.44 -13.26 62.26 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 124.043 0.937 . . . . 73.54 112.363 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -72.22 -2.01 17.26 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 112.37 0.508 . . . . 62.41 112.37 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -126.34 -4.05 6.74 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.531 0.733 . . . . 73.32 111.686 170.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.442 HG23 ' HB3' ' A' ' 111' ' ' ALA . 49.4 mm -102.36 94.3 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 C-N-CA 123.392 0.677 . . . . 73.15 111.506 -174.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -119.31 -49.98 2.36 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 124.303 1.041 . . . . 65.35 109.748 169.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -58.93 -44.24 91.32 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.723 0.809 . . . . 71.52 111.11 176.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.442 ' HB3' HG23 ' A' ' 108' ' ' ILE . . . -84.79 171.57 12.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.101 0.561 . . . . 74.2 111.156 172.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.0 ptm -154.94 -171.81 3.97 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.077 0.951 . . . . 74.41 109.939 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 46.5 m . . . . . 0 N--CA 1.493 1.713 0 C-N-CA 124.369 1.067 . . . . 72.14 111.709 173.485 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.548 0.214 . . . . 71.5 111.09 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -91.94 -7.78 48.1 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 123.329 0.651 . . . . 55.41 112.196 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.477 ' N ' ' SD ' ' A' ' 3' ' ' MET . 0.5 OUTLIER -74.26 144.43 81.52 Favored Pre-proline 0 CA--C 1.56 1.327 0 C-N-CA 123.352 0.661 . . . . 73.31 112.069 -177.67 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.72 159.28 51.94 Favored 'Trans proline' 0 C--N 1.385 2.458 0 C-N-CA 123.041 2.494 . . . . 71.13 113.414 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.82 134.22 90.16 Favored Pre-proline 0 CA--C 1.564 1.484 0 C-N-CA 123.205 0.602 . . . . 73.43 111.993 -175.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -76.6 150.2 31.23 Favored 'Trans proline' 0 C--N 1.374 1.906 0 C-N-CA 122.773 2.316 . . . . 74.34 112.467 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.95 165.54 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 123.815 0.846 . . . . 74.43 111.982 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.0 m 74.29 153.07 0.14 Allowed 'General case' 0 N--CA 1.501 2.117 0 C-N-CA 125.092 1.357 . . . . 70.3 112.612 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.3 t -154.14 -168.66 3.02 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.581 0.752 . . . . 44.34 110.127 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -53.74 -60.38 3.38 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.381 1.072 . . . . 70.23 112.019 175.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -157.62 -64.2 0.09 Allowed 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 112.175 0.435 . . . . 72.52 112.175 -176.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.91 -59.46 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.776 0.83 . . . . 71.41 112.415 -170.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -61.62 -30.47 70.71 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.666 0.786 . . . . 62.41 111.629 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -63.42 -49.42 73.81 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.87 0.468 . . . . 74.52 110.878 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -71.8 -33.32 68.45 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.027 -0.533 . . . . 45.31 111.766 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.4 m -61.04 -47.36 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.032 0.533 . . . . 65.34 110.655 174.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.423 HH21 ' HG3' ' A' ' 38' ' ' GLU . 3.8 tmt_? -55.01 -45.68 75.14 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.219 1.008 . . . . 75.04 110.87 173.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -59.37 -48.92 79.81 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.638 0.775 . . . . 75.24 112.696 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.2 mtm -74.3 -33.93 63.36 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.633 0.773 . . . . 71.43 112.825 -173.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.3 -41.59 76.58 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.755 0.422 . . . . 34.42 110.821 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 m -64.34 -36.8 85.3 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.086 0.554 . . . . 75.33 110.848 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.492 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -64.83 -34.82 79.27 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.713 0.805 . . . . 60.42 111.648 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -65.06 -37.4 87.45 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.532 0.733 . . . . 64.21 111.526 174.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 70' ' ' LEU . 89.1 mt -76.99 -7.57 55.85 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 123.817 0.847 . . . . 53.41 113.073 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.492 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 3.7 pt20 -125.08 10.35 8.14 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.653 0.781 . . . . 75.21 111.932 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.7 t -58.1 -28.19 64.38 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.173 0.805 . . . . 75.42 113.173 -168.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -154.16 54.4 0.7 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.612 0.765 . . . . 71.24 109.244 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.9 m170 61.34 34.34 18.47 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.285 1.034 . . . . 70.31 113.327 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.52 -52.54 64.07 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.811 0.844 . . . . 73.11 111.539 -175.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -71.53 -26.24 62.57 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 116.027 -0.533 . . . . 75.11 112.135 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.1 t -68.28 -34.02 63.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.895 0.878 . . . . 62.22 111.385 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.8 72.79 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.783 0.833 . . . . 72.24 112.051 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.54 HD11 ' HD2' ' A' ' 80' ' ' ARG . 54.7 mt -98.94 -16.39 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.508 0 C-N-CA 124.06 0.944 . . . . 74.25 111.272 -178.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.88 14.34 82.26 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 122.85 0.262 . . . . 72.2 113.359 -174.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.427 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -77.18 138.22 39.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.261 1.024 . . . . 42.42 112.372 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.573 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 14.5 m-20 -78.73 93.5 4.94 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.889 0.476 . . . . 72.32 110.788 177.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.2 p -62.85 -22.46 66.7 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.628 0.771 . . . . 72.5 112.95 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.423 ' HG3' HH21 ' A' ' 17' ' ' ARG . 41.3 tt0 -59.24 -52.77 64.25 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.022 0.929 . . . . 72.04 112.565 178.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.573 ' HE ' ' HB2' ' A' ' 36' ' ' ASP . 16.7 ptt180 -74.88 -35.82 62.28 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.611 0.364 . . . . 65.03 111.508 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.427 HD11 ' HB1' ' A' ' 35' ' ' ALA . 94.9 mt -59.98 -46.17 90.31 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.066 0.547 . . . . 72.31 111.574 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.7 t -56.95 -46.99 81.74 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.203 1.001 . . . . 71.31 111.837 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.12 73.47 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.815 0.846 . . . . 72.43 112.303 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -77.15 -37.94 52.85 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.373 0.669 . . . . 75.45 112.757 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 40' ' ' LEU . 72.7 mt -61.83 -43.78 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-O 121.901 0.858 . . . . 74.11 109.377 172.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.38 -48.21 82.3 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 113.459 -1.7 . . . . 74.44 112.198 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.34 -33.54 76.07 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 112.078 0.399 . . . . 70.32 112.078 -174.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.3 m -69.07 -49.68 55.2 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.904 0.482 . . . . 73.55 111.182 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.479 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 15.6 tt -72.21 -24.34 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.483 0 C-N-CA 123.26 0.624 . . . . 75.21 111.673 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -62.19 -25.53 67.83 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.615 1.166 . . . . 60.34 112.82 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -55.03 -60.87 2.78 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.497 0.719 . . . . 75.0 112.239 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.37 -53.66 4.45 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.426 0.631 . . . . 74.11 111.688 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.443 HG13 ' HG3' ' A' ' 58' ' ' LYS . 47.7 t -85.24 -14.2 11.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 C-N-CA 124.254 1.022 . . . . 74.41 113.077 -169.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.99 31.8 1.3 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 115.587 0.995 . . . . 72.23 115.587 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -95.48 13.36 26.26 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 125.871 1.669 . . . . 72.43 112.278 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.2 p 56.32 19.34 3.9 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 125.584 1.554 . . . . 63.32 114.089 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.486 ' HB3' ' HG2' ' A' ' 58' ' ' LYS . 37.1 t70 -75.57 172.21 12.96 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.517 0.727 . . . . 73.34 110.974 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 82.2 mtp -56.17 -28.4 57.94 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.133 0.573 . . . . 73.51 112.277 172.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.486 ' HG2' ' HB3' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -62.31 -39.2 92.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.967 0.507 . . . . 71.15 110.687 173.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.431 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 84.0 t80 -70.24 -48.83 55.22 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.09 0.956 . . . . 75.04 111.019 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -60.61 -37.73 82.38 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.779 0.831 . . . . 65.33 111.502 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -69.08 -47.15 65.99 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.702 0.801 . . . . 74.12 110.545 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -61.04 -40.05 92.14 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.28 0.632 . . . . 75.4 111.924 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 67' ' ' ILE . 78.2 t -66.78 -56.34 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 122.937 0.495 . . . . 73.15 110.842 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.428 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.4 ptm180 -60.28 -36.91 78.93 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 122.995 0.518 . . . . 71.21 112.37 -177.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.6 m -70.12 -41.56 73.8 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.174 0.59 . . . . 74.11 110.377 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -42.61 98.82 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.16 0.584 . . . . 63.52 111.204 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.573 HG23 ' HB2' ' A' ' 23' ' ' ALA . 81.4 mt -55.83 -47.77 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 124.261 1.024 . . . . 73.52 110.83 176.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -61.69 -36.39 80.74 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.623 0.769 . . . . 74.5 112.069 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.423 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 12.9 m120 -74.12 -32.45 63.19 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.494 0.718 . . . . 61.51 111.727 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 97.6 mt -74.34 -9.74 58.9 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.905 0.882 . . . . 75.55 111.804 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -124.4 14.55 8.91 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.61 0.764 . . . . 74.54 112.524 172.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 30.7 t0 -65.77 143.04 57.75 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 113.282 0.845 . . . . 61.05 113.282 -170.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.09 -30.98 20.71 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.356 1.062 . . . . 72.24 111.63 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -74.23 -31.72 62.7 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.427 0.691 . . . . 73.22 110.728 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.579 ' HB3' ' HB2' ' A' ' 78' ' ' LEU . 28.5 m-80 -121.92 78.57 40.98 Favored Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 124.596 1.158 . . . . 62.52 110.594 173.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.29 -28.86 12.0 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.321 2.014 . . . . 61.14 111.045 171.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.636 ' HB2' ' HD2' ' A' ' 106' ' ' LYS . 3.5 m-20 -70.91 -23.72 62.33 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.394 1.077 . . . . 63.25 111.59 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 75' ' ' ASN . 33.2 tp -63.1 -58.01 8.69 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.771 0.428 . . . . 70.24 110.471 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -64.71 -41.95 95.62 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.714 0.805 . . . . 62.11 111.564 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.54 ' HD2' HD11 ' A' ' 33' ' ' ILE . 28.5 tpt180 -54.93 -49.91 70.13 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.645 0.778 . . . . 75.12 111.728 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -75.74 -32.52 60.03 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 112.557 0.577 . . . . 71.52 112.557 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 78' ' ' LEU . 75.4 t -62.47 -49.09 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 CA-C-N 118.583 0.629 . . . . 73.42 110.483 174.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.401 HD21 HD22 ' A' ' 24' ' ' LEU . 55.3 mt -68.46 -31.04 70.05 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 123.786 0.834 . . . . 74.31 111.9 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.0 t -82.01 -12.3 58.38 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.01 0.524 . . . . 75.51 112.146 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.26 6.27 84.44 Favored Glycine 0 CA--C 1.54 1.626 0 N-CA-C 114.449 0.539 . . . . 71.24 114.449 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.03 -47.84 41.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.498 0.719 . . . . 73.14 111.408 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.8 mt -88.03 123.35 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 109.037 -0.727 . . . . 51.41 109.037 168.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.6 p -75.38 149.84 84.51 Favored Pre-proline 0 CA--C 1.557 1.249 0 C-N-CA 123.061 0.544 . . . . 73.02 111.782 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -45.76 -36.34 14.69 Favored 'Trans proline' 0 C--N 1.381 2.259 0 C-N-CA 124.106 3.204 . . . . 62.45 115.588 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -29.51 60.89 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.5 0.556 . . . . 64.05 112.5 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.47 -60.24 2.73 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.664 0.386 . . . . 63.04 110.887 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.55 -26.81 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 123.132 0.573 . . . . 71.45 111.949 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.479 ' HB1' ' HB ' ' A' ' 48' ' ' ILE . . . -65.69 -43.72 88.38 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 123.018 0.527 . . . . 55.44 112.411 174.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.4 m -94.84 -18.62 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 N-CA-C 113.505 0.928 . . . . 73.54 113.505 -173.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 79.3 mtp -70.05 126.9 31.03 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 112.32 0.489 . . . . 65.14 112.32 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.0 p -92.15 177.2 6.23 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.071 0.948 . . . . 54.02 110.946 175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.8 p -61.36 -30.74 70.72 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.456 0.702 . . . . 71.34 111.251 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -61.8 -45.89 91.91 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.214 1.006 . . . . 54.25 111.035 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -70.2 -34.9 73.5 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.385 0.674 . . . . 64.25 111.999 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 61.5 mtp -68.4 -28.45 67.11 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.933 0.893 . . . . 74.34 111.95 175.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.96 -18.13 64.99 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 122.971 0.508 . . . . 62.45 112.079 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.0 m -75.34 77.08 2.43 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.783 0.801 . . . . 72.11 110.477 171.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.588 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 28.0 t70 -65.4 -36.84 85.17 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.476 1.111 . . . . 71.2 111.945 -176.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.08 -42.21 89.87 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.956 1.302 . . . . 65.33 113.428 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.9 mt -81.15 -3.91 53.67 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 114.05 1.13 . . . . 72.34 114.05 -172.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.636 ' HD2' ' HB2' ' A' ' 77' ' ' ASP . 9.5 mtmp? -67.3 -30.22 70.02 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.264 0.838 . . . . 73.11 113.264 -178.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -113.46 -36.19 5.03 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.319 0.648 . . . . 73.25 111.887 173.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 51.0 mm -71.16 99.37 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-O 121.253 0.549 . . . . 73.12 111.63 -175.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -123.22 -48.15 1.99 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.045 0.938 . . . . 72.24 110.692 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -77.84 -77.57 0.15 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.166 0.587 . . . . 61.44 111.086 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 64.12 -73.39 0.05 Allowed 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 125.269 1.428 . . . . 72.31 113.764 176.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 27.8 ttt -73.02 105.7 4.59 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.025 0.93 . . . . 75.41 111.115 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.488 1.458 0 C-N-CA 123.609 0.764 . . . . 53.24 111.133 177.539 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.495 1.805 0 N-CA-C 111.74 0.274 . . . . 53.43 111.74 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 65.36 20.62 11.84 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 124.792 1.237 . . . . 74.1 111.788 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.9 ttm -72.96 134.16 81.31 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 123.458 0.703 . . . . 73.44 110.574 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -56.16 109.88 0.49 Allowed 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 122.394 2.063 . . . . 64.55 110.822 171.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.1 t -52.8 117.11 10.28 Favored Pre-proline 0 CA--C 1.561 1.371 0 C-N-CA 124.714 1.206 . . . . 73.14 112.628 -172.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -60.02 155.85 42.41 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 123.205 2.603 . . . . 72.24 114.574 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.2 m -73.31 145.31 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 115.351 -0.84 . . . . 71.42 111.63 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 p -89.96 131.77 35.68 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.229 0.611 . . . . 72.01 109.556 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.7 m -64.44 -70.63 0.21 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.031 0.532 . . . . 65.3 111.765 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -151.37 -150.12 0.33 Allowed 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 123.278 0.631 . . . . 62.55 110.371 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.42 -44.71 35.36 Favored 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 114.892 1.442 . . . . 62.4 114.892 -170.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -68.3 -51.93 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 CA-C-N 118.173 0.442 . . . . 71.14 111.672 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -65.99 -27.44 68.14 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.966 0.906 . . . . 74.0 112.283 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -77.02 -56.63 4.42 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 122.529 0.332 . . . . 74.1 110.668 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -59.54 -38.91 82.27 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.296 1.038 . . . . 72.41 113.21 -173.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.509 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.1 t -64.49 -52.72 56.44 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 122.649 0.379 . . . . 73.23 111.913 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -27.95 69.19 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 118.728 0.695 . . . . 60.43 112.532 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.0 -39.57 83.18 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.833 0.679 . . . . 71.21 112.833 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.1 ptp -75.04 -27.7 60.13 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.261 0.225 . . . . 71.14 110.951 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 81.3 mt -69.39 -35.09 75.45 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.921 0.488 . . . . 74.4 111.228 170.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 50.4 m -63.95 -44.29 93.26 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.037 0.535 . . . . 74.43 109.87 172.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.16 73.13 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.973 0.909 . . . . 72.12 111.871 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.27 -30.29 68.37 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.263 0.625 . . . . 65.12 111.735 173.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -86.48 -3.68 59.05 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.549 0.74 . . . . 74.41 112.544 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.503 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 33.3 mm-40 -80.45 -9.73 59.75 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.438 0.695 . . . . 73.02 111.875 171.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 70' ' ' LEU . 15.2 t -59.01 -31.46 68.83 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.869 0.868 . . . . 71.12 112.084 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -118.06 135.63 54.06 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.451 1.1 . . . . 71.33 110.307 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -79.91 2.2 24.32 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.254 0.622 . . . . 72.44 112.062 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -57.25 -31.13 65.24 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.794 0.838 . . . . 71.44 113.018 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.588 ' HB3' HD22 ' A' ' 83' ' ' LEU . 51.0 p-80 -62.4 -33.15 74.21 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 118.336 0.516 . . . . 73.02 111.815 176.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.9 t -74.81 -52.69 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.086 0.555 . . . . 50.04 110.647 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.45 90.92 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.156 0.982 . . . . 63.33 113.061 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.524 HG21 ' HA ' ' A' ' 84' ' ' CYS . 81.9 mt -73.9 -29.91 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.955 0.902 . . . . 75.21 110.777 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.53 31.86 12.63 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-N 116.386 -0.37 . . . . 52.33 113.171 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.22 110.81 22.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.785 0.834 . . . . 61.21 109.773 174.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 5.4 m-20 -70.28 109.78 4.89 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.246 0.546 . . . . 75.13 110.563 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.503 ' SG ' ' NE2' ' A' ' 25' ' ' GLN . 23.0 p -68.07 -5.82 19.58 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.15 1.167 . . . . 35.3 114.15 -172.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.38 -36.74 77.09 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 123.133 0.573 . . . . 72.4 112.264 172.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 11.5 ptp180 -73.75 -34.2 64.64 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 122.691 0.396 . . . . 73.33 110.302 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 44' ' ' ILE . 88.9 mt -65.42 -51.38 60.69 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.322 0.649 . . . . 71.42 110.535 177.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -62.45 -35.73 80.2 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.143 0.977 . . . . 62.0 112.585 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.23 67.94 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.632 0.773 . . . . 53.12 112.556 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -77.41 -30.41 53.5 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 122.445 0.298 . . . . 72.33 111.617 172.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.471 HG23 ' HB2' ' A' ' 93' ' ' ALA . 73.9 mt -63.42 -38.1 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 CA-C-O 121.316 0.579 . . . . 64.35 109.516 168.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -61.0 -41.38 96.42 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.104 1.362 . . . . 54.21 113.128 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -31.76 58.61 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 116.425 -0.352 . . . . 75.43 111.232 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.457 ' HA ' ' NH2' ' A' ' 50' ' ' ARG . 74.3 m -66.95 -49.2 66.2 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.407 0.683 . . . . 75.31 112.324 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.3 tt -66.58 -33.07 61.03 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.342 0 C-N-CA 123.026 0.531 . . . . 72.44 111.779 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -66.43 -25.71 66.88 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.508 0.929 . . . . 61.31 113.508 -174.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' NH2' ' HA ' ' A' ' 47' ' ' CYS . 74.8 mtm-85 -67.36 -49.95 61.86 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 121.749 -0.595 . . . . 74.03 112.433 -177.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.13 -41.9 12.0 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.123 0.569 . . . . 71.32 112.509 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 59' ' ' TYR . 22.0 t -93.51 -11.11 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 123.967 0.907 . . . . 60.22 112.367 -171.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.65 28.74 0.49 Allowed Glycine 0 CA--C 1.54 1.631 0 N-CA-C 117.024 1.57 . . . . 72.43 117.024 -173.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -64.98 -21.86 66.91 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 117.925 0.862 . . . . 72.01 110.733 161.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t 50.1 29.88 3.85 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 126.989 2.116 . . . . 72.11 114.197 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -94.22 -82.72 0.35 Allowed 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 115.799 -0.637 . . . . 71.02 110.683 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.1 ttp -119.22 -44.03 2.6 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.387 1.075 . . . . 64.2 110.214 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HG2' HG13 ' A' ' 52' ' ' VAL . 45.0 tttp -52.58 -46.9 67.09 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.285 1.434 . . . . 65.11 112.274 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.476 ' O ' HG23 ' A' ' 63' ' ' VAL . 37.2 t80 -58.52 -51.09 71.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.255 1.022 . . . . 75.5 111.967 -177.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -55.23 -50.96 68.1 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.552 0.741 . . . . 73.31 112.131 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -73.06 -34.32 66.2 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.344 0.657 . . . . 74.53 112.356 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -68.41 -36.02 78.49 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.515 0.726 . . . . 64.51 111.197 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 59' ' ' TYR . 95.1 t -65.15 -44.64 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 CA-C-N 115.868 -0.605 . . . . 72.04 110.817 172.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -64.02 -33.36 75.57 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 122.78 0.432 . . . . 74.44 111.882 176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.9 t -65.24 -40.91 94.66 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.556 0.742 . . . . 65.31 110.576 174.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HE ' ' HG ' ' A' ' 70' ' ' LEU . 6.7 tpm_? -61.9 -46.78 87.87 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.399 0.68 . . . . 65.32 111.115 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.0 -50.79 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.919 0.888 . . . . 64.23 111.925 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.3 p -66.48 -42.68 87.1 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.392 0.677 . . . . 74.2 111.832 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -63.88 -22.53 66.96 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.557 0.743 . . . . 74.33 112.728 172.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.503 ' O ' HG21 ' A' ' 26' ' ' THR . 76.8 mt -83.46 -23.48 32.22 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 112.271 0.471 . . . . 73.53 112.271 170.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -106.21 6.56 30.91 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 113.636 0.976 . . . . 73.23 113.636 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.71 121.62 24.96 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 118.039 0.381 . . . . 72.01 111.675 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.09 -9.86 58.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 114.534 1.309 . . . . 74.04 114.534 -172.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -84.31 -21.74 30.89 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.585 0.587 . . . . 74.21 112.585 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -130.48 88.95 45.6 Favored Pre-proline 0 N--CA 1.493 1.702 0 C-N-CA 123.225 0.61 . . . . 74.11 109.555 172.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -81.04 -24.06 4.95 Favored 'Trans proline' 0 C--N 1.374 1.879 0 C-N-CA 122.677 2.251 . . . . 75.35 114.309 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.26 -33.98 75.66 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.886 1.275 . . . . 71.11 112.044 -174.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.2 tp -51.26 -53.92 30.84 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.168 1.387 . . . . 53.33 113.662 -172.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.684 ' HD2' ' H ' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -74.7 -36.2 62.74 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 115.884 -0.598 . . . . 72.22 111.359 -168.128 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -61.72 -36.93 82.38 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.259 0.35 . . . . 73.2 111.223 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.589 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 65.1 m-80 -64.53 -35.58 81.42 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.522 0.564 . . . . 73.13 112.522 172.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.2 t -68.76 -39.92 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 CA-C-O 121.315 0.579 . . . . 62.54 110.724 175.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 30' ' ' HIS . 85.3 mt -79.66 -15.25 57.93 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.92 0.888 . . . . 63.15 112.21 -177.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.589 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 17.4 p -96.78 -13.67 22.47 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.061 0.544 . . . . 63.45 111.324 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.6 8.55 63.83 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 114.341 0.496 . . . . 71.24 114.341 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.09 -52.42 23.95 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.317 0.647 . . . . 72.35 110.794 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 73.7 mt -91.15 122.85 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 108.696 -0.853 . . . . 71.21 108.696 167.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 p -75.53 155.8 85.37 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 122.753 0.421 . . . . 74.04 110.891 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -54.66 -28.07 54.53 Favored 'Trans proline' 0 C--N 1.374 1.921 0 C-N-CA 122.918 2.412 . . . . 74.02 113.886 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -43.7 53.69 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.501 0.72 . . . . 73.53 110.798 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -66.44 -45.75 78.77 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.149 0.579 . . . . 71.14 112.205 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.4 tp -60.09 -35.76 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-O 120.644 0.259 . . . . 70.3 111.278 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.471 ' HB2' HG23 ' A' ' 44' ' ' ILE . . . -66.74 -39.53 87.99 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.511 0.725 . . . . 62.32 112.621 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.2 m -92.51 -19.39 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 113.959 1.096 . . . . 64.32 113.959 -172.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 95' ' ' MET . 61.7 mtm -69.19 138.46 54.09 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 118.382 0.537 . . . . 71.32 111.192 177.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.7 p -74.5 166.97 22.63 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.168 0.587 . . . . 61.32 111.911 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 92.9 p -59.93 -31.46 69.87 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.101 0.561 . . . . 63.24 111.78 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.19 -40.5 97.67 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.713 0.805 . . . . 73.2 112.169 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.67 -47.96 57.25 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.706 0.765 . . . . 71.4 110.871 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.433 ' SD ' ' NH1' ' A' ' 66' ' ' ARG . 66.9 mtm -75.78 -23.59 55.93 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 114.738 -1.119 . . . . 62.02 113.41 -172.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -111.73 10.01 20.91 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.795 0.838 . . . . 71.44 111.817 -178.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.3 t -60.49 125.83 25.18 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.98 0.733 . . . . 75.13 112.98 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -67.81 -18.51 64.87 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.786 0.835 . . . . 64.24 112.242 173.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -74.95 -56.9 4.28 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 109.383 -0.599 . . . . 60.13 109.383 171.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.9 mt -74.42 -5.45 42.53 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 114.098 1.148 . . . . 71.51 114.098 -172.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -73.35 6.21 3.08 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 113.515 0.931 . . . . 74.14 113.515 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -154.2 17.17 0.49 Allowed 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 113.212 0.819 . . . . 72.31 113.212 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 45.1 mm -88.3 5.82 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 CA-C-O 121.499 0.666 . . . . 72.04 112.005 -176.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 109' ' ' ARG . 38.8 ttp180 -59.07 153.2 18.38 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.147 -0.97 . . . . 63.34 110.45 165.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 79.09 -46.25 0.38 Allowed 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 125.613 1.565 . . . . 65.04 110.767 -170.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.9 83.03 1.21 Allowed 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 121.588 0.708 . . . . 50.14 110.409 173.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 51.4 ttm -140.84 -25.27 0.75 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.357 1.063 . . . . 74.35 110.33 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 CA--C 1.569 1.692 0 C-N-CA 123.72 0.808 . . . . 73.11 111.538 177.844 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.5 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 121.021 0.439 . . . . 70.25 112.087 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -163.32 -49.39 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.76 1.224 . . . . 73.0 109.101 177.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 69.1 mtm -71.56 154.47 93.25 Favored Pre-proline 0 CA--C 1.555 1.142 0 CA-C-N 115.933 -0.576 . . . . 73.31 110.564 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -60.21 134.07 53.6 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 121.977 1.784 . . . . 55.31 110.803 168.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.4 m -52.15 136.14 39.34 Favored Pre-proline 0 N--CA 1.49 1.535 0 C-N-CA 124.01 0.924 . . . . 74.33 111.947 -175.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -66.78 141.05 57.96 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.083 1.856 . . . . 75.25 113.259 -169.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.96 107.09 15.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 124.681 1.192 . . . . 70.0 109.645 -172.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.534 ' HA ' ' HB2' ' A' ' 14' ' ' ASN . 81.5 m 60.02 -83.27 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.557 1.143 . . . . 73.45 110.956 -169.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.2 m 50.86 54.54 11.05 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.39 1.076 . . . . 71.44 111.015 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.517 ' HB3' HH21 ' A' ' 13' ' ' ARG . 25.7 t70 65.13 167.02 0.18 Allowed 'General case' 0 CA--C 1.571 1.765 0 C-N-CA 124.289 1.036 . . . . 64.52 111.236 -171.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.56 -11.27 15.52 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 114.345 1.239 . . . . 62.2 114.345 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.8 t -71.86 -63.4 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 CA-C-N 118.829 0.74 . . . . 63.3 111.435 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.517 HH21 ' HB3' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -69.46 -34.97 75.16 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.272 0.629 . . . . 73.01 111.949 -170.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.534 ' HB2' ' HA ' ' A' ' 8' ' ' THR . 64.5 t30 -64.9 -49.06 71.92 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 110.187 -0.301 . . . . 52.42 110.187 176.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -60.92 -41.53 96.36 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.271 0.628 . . . . 75.15 112.179 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -56.9 -46.07 82.17 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.961 0.504 . . . . 62.03 111.258 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -65.79 -42.09 91.16 Favored 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 123.89 0.876 . . . . 73.23 110.862 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.75 -39.01 93.23 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 124.278 1.031 . . . . 64.55 112.472 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.2 mtm -74.39 -37.34 63.44 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.564 0.746 . . . . 71.35 111.488 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.14 -36.47 79.73 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.568 0.347 . . . . 73.33 110.819 172.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.573 HG23 ' SG ' ' A' ' 37' ' ' CYS . 66.5 m -64.96 -42.89 94.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.319 0.648 . . . . 65.53 111.011 174.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.96 -32.77 74.66 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.608 0.763 . . . . 65.32 111.538 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -70.01 -28.26 65.35 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.737 0.815 . . . . 71.34 111.671 172.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD22 ' HE1' ' A' ' 30' ' ' HIS . 95.0 mt -86.7 -16.07 37.61 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.375 0.67 . . . . 70.15 112.388 173.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -104.24 -2.0 26.3 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 123.811 0.845 . . . . 74.41 112.715 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -58.87 -33.09 70.08 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.151 0.5 . . . . 73.43 111.599 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -89.03 -29.36 19.52 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.021 0.928 . . . . 73.23 112.273 176.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 m80 62.84 5.9 1.96 Allowed 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 124.923 1.289 . . . . 64.34 113.001 -171.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.41 -24.65 60.31 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.918 0.887 . . . . 72.34 110.706 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' HD2' ' HB3' ' A' ' 35' ' ' ALA . 2.2 m80 -55.52 -41.02 72.54 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.887 0.875 . . . . 74.42 111.748 170.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.4 t -68.42 -37.64 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 123.232 0.613 . . . . 65.32 110.972 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.65 85.81 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.802 0.841 . . . . 70.45 112.244 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.0 mt -78.31 -26.5 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.631 0.773 . . . . 74.33 110.992 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.89 0.74 68.32 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-N 116.43 -0.35 . . . . 45.04 113.079 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB3' ' HD2' ' A' ' 30' ' ' HIS . . . -78.14 110.64 13.29 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.551 0.74 . . . . 55.1 110.479 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.05 129.19 37.52 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.562 0.345 . . . . 53.42 110.865 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' SG ' HG23 ' A' ' 21' ' ' THR . 7.7 p -73.82 -31.67 63.34 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.382 1.253 . . . . 74.42 114.382 -172.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.35 -41.35 73.27 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 123.051 0.541 . . . . 71.55 112.366 -172.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -65.06 -33.3 75.72 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.287 0.635 . . . . 72.23 111.205 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 44' ' ' ILE . 73.1 mt -67.0 -55.39 14.66 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.12 0.568 . . . . 72.35 110.611 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.1 p -60.03 -32.46 70.92 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.922 0.889 . . . . 75.4 112.429 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.77 -41.9 86.99 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.5 0.72 . . . . 73.5 112.239 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -71.64 -33.55 69.02 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.955 0.502 . . . . 61.32 111.612 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 40' ' ' LEU . 79.6 mt -61.92 -45.54 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.438 0.695 . . . . 73.31 109.873 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -69.71 -34.36 73.79 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.422 -0.808 . . . . 71.42 111.586 -177.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -34.58 72.66 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 113.965 1.098 . . . . 72.35 113.965 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.0 m -76.61 -49.24 16.77 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.004 0.372 . . . . 71.21 112.004 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.582 HG21 HH12 ' A' ' 66' ' ' ARG . 3.7 tt -70.3 -34.54 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 123.631 0.772 . . . . 62.24 112.411 -177.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.98 -25.3 60.84 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.734 1.214 . . . . 71.32 113.233 -172.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -67.31 -50.45 60.14 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.594 0.758 . . . . 75.43 111.419 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -90.23 -47.39 7.81 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.865 0.866 . . . . 55.2 112.741 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.452 ' HB ' HG12 ' A' ' 48' ' ' ILE . 56.6 t -102.26 -18.19 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 124.381 1.073 . . . . 60.42 112.659 -170.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.45 30.39 1.01 Allowed Glycine 0 CA--C 1.547 2.09 0 N-CA-C 115.828 1.091 . . . . 73.41 115.828 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -82.89 6.2 19.27 Favored 'General case' 0 CA--C 1.565 1.529 0 C-N-CA 125.732 1.613 . . . . 70.25 112.508 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.1 p 61.73 21.85 12.51 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 125.615 1.566 . . . . 74.0 113.411 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.82 170.64 16.24 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.236 1.015 . . . . 72.31 111.07 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.0 ttm -51.96 -34.91 44.22 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.757 1.223 . . . . 70.35 112.194 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -54.08 -51.2 64.88 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.21 1.004 . . . . 60.24 111.659 171.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -66.64 -37.82 85.6 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.481 1.112 . . . . 75.22 112.177 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -64.11 -44.98 90.62 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.122 0.569 . . . . 75.21 110.944 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -68.24 -39.08 82.38 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-N 115.596 -0.729 . . . . 71.11 111.504 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -67.68 -42.8 81.52 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.734 0.814 . . . . 74.32 112.682 -176.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.3 t -67.76 -47.19 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 122.829 0.452 . . . . 53.24 111.255 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.549 ' HA ' HD12 ' A' ' 67' ' ' ILE . 39.6 ptt180 -64.88 -28.91 69.86 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 112.121 0.415 . . . . 63.22 112.121 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -59.12 -41.54 88.46 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.354 0.662 . . . . 75.43 111.564 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.582 HH12 HG21 ' A' ' 48' ' ' ILE . 99.3 mtt180 -64.54 -54.05 38.36 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.976 0.511 . . . . 74.51 111.083 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 64' ' ' ARG . 60.3 mt -51.9 -43.98 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 124.499 1.12 . . . . 71.5 111.508 -176.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.5 t -58.07 -51.83 68.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.475 1.11 . . . . 61.41 111.94 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 100' ' ' MET . 61.6 t30 -72.37 -28.08 62.79 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.132 0.973 . . . . 71.14 112.34 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 90.4 mt -82.9 -4.84 58.64 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.008 0.923 . . . . 71.01 112.337 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.432 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.5 ptpt -121.17 5.37 10.31 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.216 0.606 . . . . 72.14 111.011 169.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.99 131.06 37.22 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.263 0.625 . . . . 45.3 112.068 -171.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.92 62.85 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.039 0.936 . . . . 74.11 112.854 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.2 -24.32 37.53 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.59 0.756 . . . . 73.51 110.9 -175.556 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -122.66 81.02 48.12 Favored Pre-proline 0 CA--C 1.562 1.441 0 C-N-CA 122.965 0.506 . . . . 64.24 110.373 169.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -83.64 -20.94 4.43 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.731 2.288 . . . . 64.34 112.694 170.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.98 -50.17 73.49 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.48 1.112 . . . . 63.1 112.544 -175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.545 HD21 HD13 ' A' ' 92' ' ' ILE . 68.0 tp -55.43 -55.19 34.63 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.555 0.742 . . . . 73.1 112.256 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -71.81 -30.27 65.33 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.571 0.748 . . . . 73.11 112.607 -177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 83' ' ' LEU . 2.7 tmt_? -69.94 -36.23 75.14 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 123.924 0.89 . . . . 72.02 109.901 178.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.447 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 91.8 m-20 -67.17 -41.73 85.44 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.713 -0.676 . . . . 73.52 111.121 172.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.89 -30.08 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.615 0 C-N-CA 122.842 0.457 . . . . 70.02 111.347 175.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 80' ' ' ARG . 45.5 mt -61.64 -53.96 49.18 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.77 0.828 . . . . 32.01 110.864 174.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 26.3 p -81.37 -10.76 59.47 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.831 0.853 . . . . 60.44 112.692 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.86 64.43 1.87 Allowed Glycine 0 CA--C 1.537 1.451 0 C-N-CA 122.799 0.238 . . . . 70.22 113.225 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.49 -54.21 2.47 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.188 0.995 . . . . 64.15 109.929 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 81' ' ' ASN . 1.7 mp -80.64 127.25 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 N-CA-C 109.033 -0.729 . . . . 71.34 109.033 170.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.2 p -76.92 148.52 79.0 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 115.885 -0.598 . . . . 61.31 110.63 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.91 -21.9 60.1 Favored 'Trans proline' 0 C--N 1.372 1.779 0 C-N-CA 122.502 2.135 . . . . 60.32 114.243 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -71.86 -34.12 68.96 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 117.735 0.243 . . . . 72.22 111.445 174.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -61.78 -59.38 5.24 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.984 0.514 . . . . 74.42 111.213 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.545 HD13 HD21 ' A' ' 78' ' ' LEU . 7.1 tp -60.92 -20.94 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 CA-C-O 121.296 0.569 . . . . 62.14 112.046 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.504 ' HA ' ' NH2' ' A' ' 66' ' ' ARG . . . -73.1 -46.96 48.31 Favored 'General case' 0 CA--C 1.557 1.229 0 N-CA-C 112.477 0.547 . . . . 75.51 112.477 173.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.8 m -88.26 -24.52 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 N-CA-C 113.254 0.835 . . . . 73.23 113.254 -172.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.446 ' SD ' HD11 ' A' ' 105' ' ' LEU . 67.0 mtm -70.45 128.82 37.47 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.282 0.475 . . . . 71.13 112.282 -175.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.1 p -63.83 167.35 6.14 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.979 0.912 . . . . 74.54 111.046 177.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.7 t -61.86 -29.04 69.92 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 112.023 0.379 . . . . 64.25 112.023 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.45 -36.61 81.51 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.525 0.73 . . . . 61.05 110.812 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.564 ' HA ' ' HB2' ' A' ' 102' ' ' SER . 10.2 mm-40 -77.76 -34.56 52.38 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.482 0.713 . . . . 71.5 111.404 177.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.454 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 67.1 mtp -65.57 -24.76 67.16 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.799 0.84 . . . . 71.41 111.394 175.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.75 5.88 23.13 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.218 1.007 . . . . 64.02 112.354 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.564 ' HB2' ' HA ' ' A' ' 99' ' ' GLU . 47.5 t -61.84 131.24 49.16 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 113.813 1.042 . . . . 74.13 113.813 -171.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -61.37 -26.13 67.62 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.784 0.834 . . . . 73.44 111.785 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -59.29 -58.99 6.21 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.31 0.644 . . . . 54.15 110.494 172.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.446 HD11 ' SD ' ' A' ' 95' ' ' MET . 64.5 mt -68.13 -27.49 66.5 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 112.949 0.722 . . . . 73.43 112.949 -177.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.434 ' HZ2' ' HB2' ' A' ' 106' ' ' LYS . 10.5 mtmp? -70.48 -12.19 61.41 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.674 0.39 . . . . 73.51 111.877 175.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -112.13 -21.42 11.5 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.798 0.839 . . . . 75.54 112.188 170.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.613 HG23 ' HB3' ' A' ' 111' ' ' ALA . 47.4 mm -84.49 76.69 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-O 122.731 1.253 . . . . 74.34 108.679 174.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -106.65 108.33 19.79 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-N 113.852 -1.522 . . . . 72.33 109.166 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? 63.49 12.47 6.41 Favored 'General case' 0 CA--C 1.576 1.949 0 C-N-CA 123.625 0.77 . . . . 73.24 111.585 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.613 ' HB3' HG23 ' A' ' 108' ' ' ILE . . . -76.58 83.05 3.25 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.504 0.722 . . . . 55.02 111.325 -175.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.6 ptp -90.52 -7.66 52.36 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 115.246 -0.888 . . . . 73.02 111.729 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.8 m . . . . . 0 N--CA 1.491 1.623 0 C-N-CA 125.24 1.416 . . . . 75.21 112.011 178.515 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 112.105 0.409 . . . . 65.12 112.105 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -71.77 87.8 0.98 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.364 0.602 . . . . 73.44 110.096 173.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.422 ' SD ' ' NH2' ' A' ' 50' ' ' ARG . 31.2 mtm -84.74 128.85 59.2 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 123.999 0.92 . . . . 72.23 110.328 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.23 122.36 9.41 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.181 1.921 . . . . 65.54 111.698 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.491 HG22 ' HG2' ' A' ' 46' ' ' GLU . 57.7 t -68.24 119.96 71.35 Favored Pre-proline 0 CA--C 1.559 1.31 0 C-N-CA 123.072 0.549 . . . . 61.23 109.683 176.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 46' ' ' GLU . 28.7 Cg_endo -60.6 160.85 22.79 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.73 2.287 . . . . 74.34 113.032 178.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.0 m -68.97 161.24 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 123.645 0.778 . . . . 74.32 111.345 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.429 ' HA ' HH11 ' A' ' 13' ' ' ARG . 40.5 p -65.23 92.7 0.12 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.195 0.598 . . . . 64.42 110.777 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.4 m -54.77 -48.12 73.06 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.116 1.366 . . . . 72.22 112.599 -175.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -154.38 168.42 26.7 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 114.585 -1.189 . . . . 74.14 109.167 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.55 -28.49 65.56 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.696 0.798 . . . . 61.0 111.796 173.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.06 -55.55 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 123.33 0.652 . . . . 73.22 111.218 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.429 HH11 ' HA ' ' A' ' 8' ' ' THR . 3.1 tmt_? -62.74 -42.92 99.9 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.435 0.694 . . . . 75.31 111.184 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.75 -42.86 94.85 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.023 0.529 . . . . 74.2 111.134 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -62.6 -46.31 88.87 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.241 0.616 . . . . 71.33 111.319 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -57.86 -46.34 84.95 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.002 0.921 . . . . 73.44 111.625 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -57.61 -45.96 84.67 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.809 1.244 . . . . 64.32 111.442 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -77.28 -25.7 51.67 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.493 0.923 . . . . 72.33 113.493 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.1 mtm -75.04 -31.57 61.34 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.818 0.447 . . . . 64.02 111.263 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 45' ' ' GLU . 62.2 mt -70.17 -34.01 72.47 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.342 0.257 . . . . 72.33 110.682 170.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.7 m -61.24 -47.1 87.59 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.838 0.455 . . . . 62.41 110.332 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -59.99 -35.68 75.54 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.096 0.959 . . . . 33.23 111.817 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.04 -44.67 95.25 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.663 0.785 . . . . 65.23 111.634 172.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.588 HD21 HD22 ' A' ' 70' ' ' LEU . 98.2 mt -78.04 -6.96 56.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 113.552 0.945 . . . . 71.12 113.552 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 4.6 pt20 -125.21 13.17 8.3 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.135 0.574 . . . . 73.02 112.047 177.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -57.42 -35.66 70.34 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.766 0.654 . . . . 74.41 112.766 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -118.58 24.25 11.01 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.807 0.843 . . . . 72.5 110.745 174.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.8 m80 53.83 38.32 28.37 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.713 0.805 . . . . 71.13 110.501 -166.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -57.04 -43.19 81.7 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.672 1.189 . . . . 64.54 113.042 -164.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -64.8 -30.22 71.22 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.211 0.819 . . . . 73.22 113.211 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.8 -36.49 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 C-N-CA 123.527 0.731 . . . . 62.43 111.463 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.33 70.22 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.251 0.62 . . . . 53.43 111.931 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -90.47 -29.39 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 C-N-CA 124.028 0.931 . . . . 71.14 111.852 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.81 10.12 57.97 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 122.391 -0.193 . . . . 71.54 113.376 -173.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.1 159.26 26.16 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.992 0.917 . . . . 64.12 112.393 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.472 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 8.3 m-20 -107.37 96.25 6.28 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.826 0.85 . . . . 73.44 109.772 175.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.7 p -68.45 -33.4 74.11 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 114.079 1.14 . . . . 53.44 114.079 -166.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -37.64 87.92 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 112.963 0.727 . . . . 74.21 112.963 -175.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 14.8 ptp180 -82.85 -29.99 28.98 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.608 0.363 . . . . 64.24 111.244 177.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 75.0 mt -66.27 -43.67 85.78 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.537 0.335 . . . . 74.22 111.202 176.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.411 ' HB3' HD12 ' A' ' 24' ' ' LEU . 93.1 p -65.62 -35.9 82.15 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.978 0.911 . . . . 73.31 111.491 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.71 91.25 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.471 0.709 . . . . 64.35 111.519 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 59.5 mt-30 -67.5 -40.06 85.19 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.334 0.653 . . . . 71.23 111.365 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 40' ' ' LEU . 74.7 mt -61.13 -53.88 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-O 121.314 0.578 . . . . 64.24 110.733 177.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.639 ' HB3' HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -69.97 -32.44 70.67 Favored 'General case' 0 C--O 1.209 -1.066 0 CA-C-N 115.459 -0.791 . . . . 74.5 112.553 -173.474 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.519 ' HB2' ' HD2' ' A' ' 6' ' ' PRO . 1.8 pp20? -73.62 -32.87 64.28 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 118.97 0.804 . . . . 63.02 112.009 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.5 m -59.91 -49.69 76.7 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.1 0.56 . . . . 71.33 111.11 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.9 tt -76.42 -25.01 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.531 0 CA-C-N 115.978 -0.555 . . . . 71.42 111.392 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -72.85 -31.85 65.04 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 123.435 0.694 . . . . 74.01 111.8 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' NH2' ' SD ' ' A' ' 3' ' ' MET . 47.0 mtm105 -72.53 -19.73 61.46 Favored 'General case' 0 CA--C 1.558 1.262 0 O-C-N 121.806 -0.559 . . . . 74.04 111.523 174.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -91.31 -41.73 10.77 Favored 'General case' 0 CA--C 1.569 1.688 0 C-N-CA 123.716 0.807 . . . . 75.53 112.541 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.565 HG13 ' HE2' ' A' ' 58' ' ' LYS . 71.6 t -113.34 -10.34 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 125.137 1.375 . . . . 74.24 112.53 -164.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.98 2.16 1.08 Allowed Glycine 0 N--CA 1.486 2.009 0 N-CA-C 117.132 1.613 . . . . 72.45 117.132 -171.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -63.64 -13.05 38.82 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.855 0.862 . . . . 72.22 111.588 167.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p 60.9 -91.46 0.03 OUTLIER 'General case' 0 C--N 1.359 1.01 0 C-N-CA 126.496 1.919 . . . . 73.42 111.895 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 t70 56.68 -74.96 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 125.047 1.339 . . . . 72.23 112.129 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.6 ttp -147.25 -41.29 0.18 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.395 1.078 . . . . 71.01 110.313 171.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HE2' HG13 ' A' ' 52' ' ' VAL . 21.4 ptmt -55.16 -40.64 70.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.523 1.129 . . . . 62.44 113.798 -170.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.423 ' O ' HG23 ' A' ' 63' ' ' VAL . 54.8 t80 -59.39 -49.07 79.24 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.257 0.466 . . . . 62.22 112.257 -177.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.36 -44.25 96.91 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.401 0.68 . . . . 72.43 111.738 -176.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -67.69 -43.28 80.5 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.584 0.753 . . . . 73.34 111.906 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' A' ' 58' ' ' LYS . 3.7 mpt_? -64.6 -35.58 81.46 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.589 0.755 . . . . 74.31 111.714 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 59' ' ' TYR . 62.6 t -64.38 -48.97 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 122.63 0.372 . . . . 54.13 110.625 173.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -53.25 -41.41 65.45 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 123.686 0.794 . . . . 73.52 112.229 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.0 m -68.02 -42.54 80.47 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 115.785 -0.643 . . . . 71.34 111.397 175.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -33.33 72.39 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.033 0.533 . . . . 62.14 112.016 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.486 HG22 ' HD2' ' A' ' 71' ' ' LYS . 73.9 mt -60.15 -53.06 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 108.805 -0.813 . . . . 72.31 108.805 172.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 t -54.96 -36.25 65.13 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.6 1.16 . . . . 61.3 112.36 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -76.0 -33.26 59.69 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.564 0.745 . . . . 73.23 112.268 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.588 HD22 HD21 ' A' ' 24' ' ' LEU . 69.7 mt -88.04 -6.08 58.14 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 122.825 0.45 . . . . 73.2 112.023 -177.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.486 ' HD2' HG22 ' A' ' 67' ' ' ILE . 19.1 ptmt -121.48 15.09 11.19 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.765 0.826 . . . . 72.4 110.41 173.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -62.95 133.35 54.49 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.326 0.861 . . . . 64.42 113.326 -163.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.9 -36.46 49.56 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 114.5 -1.227 . . . . 53.4 110.982 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -67.91 -49.28 62.78 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 115.652 -0.704 . . . . 72.13 110.943 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -115.79 90.13 26.0 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.955 0.902 . . . . 62.31 109.746 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.72 -29.47 29.28 Favored 'Trans proline' 0 C--N 1.374 1.915 0 C-N-CA 122.35 2.033 . . . . 75.24 111.373 171.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.588 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 13.9 m-20 -70.36 -19.86 63.01 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.436 -0.802 . . . . 74.04 112.311 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 100' ' ' MET . 26.8 tp -60.22 -54.78 41.78 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.209 0.604 . . . . 63.4 111.776 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -68.3 -41.41 80.96 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.372 0.669 . . . . 72.33 111.474 172.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.588 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 52.4 ttt180 -56.81 -41.35 77.62 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.586 1.154 . . . . 72.2 112.478 -177.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -65.03 -40.64 95.15 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.308 0.643 . . . . 73.51 111.418 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.419 HG21 HG12 ' A' ' 92' ' ' ILE . 40.6 t -67.56 -42.63 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.058 0.543 . . . . 62.3 110.544 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 73.0 mt -68.87 -28.67 66.92 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 115.217 -0.901 . . . . 64.34 111.562 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.1 t -82.45 -15.87 50.98 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.432 0.693 . . . . 51.32 111.483 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.07 2.34 80.84 Favored Glycine 0 CA--C 1.538 1.484 0 CA-C-O 119.343 -0.698 . . . . 51.22 114.332 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.61 -53.15 60.9 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.95 0.9 . . . . 51.41 111.659 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -101.01 123.02 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 108.529 -0.915 . . . . 74.33 108.529 168.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.2 p -70.58 145.96 93.24 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 123.175 0.59 . . . . 71.34 111.444 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.445 ' HA ' HG22 ' A' ' 92' ' ' ILE . 62.8 Cg_exo -47.44 -34.16 18.8 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 124.008 3.139 . . . . 71.35 115.802 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.82 -46.66 77.75 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.01 0.524 . . . . 71.51 110.856 176.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -63.04 -48.28 79.38 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.877 0.871 . . . . 53.43 111.545 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.445 HG22 ' HA ' ' A' ' 89' ' ' PRO . 10.6 tp -71.0 -11.35 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 112.177 0.436 . . . . 72.24 112.177 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.24 -34.36 28.85 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.317 0.647 . . . . 75.1 112.151 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.4 m -109.16 -22.84 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 113.529 0.937 . . . . 75.03 113.529 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 38.7 ttp -70.34 131.56 44.33 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.973 0.909 . . . . 62.53 111.169 -176.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.7 p -70.61 164.08 25.65 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.08 0.552 . . . . 74.4 112.314 -173.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 87.9 p -57.45 -43.48 84.0 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.432 0.901 . . . . 52.2 113.432 -169.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -64.48 -49.42 71.45 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.708 0.403 . . . . 75.22 111.314 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -57.56 -45.48 85.1 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.044 0.538 . . . . 74.22 111.247 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.54 ' HB3' HD11 ' A' ' 78' ' ' LEU . 65.0 mtm -58.97 -48.11 82.74 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.776 0.831 . . . . 55.54 111.944 178.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.18 -31.65 69.22 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.056 0.542 . . . . 52.11 111.78 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.0 m -90.16 102.33 15.05 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.34 0.656 . . . . 61.0 110.859 -176.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -59.29 -25.78 64.41 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.301 0.64 . . . . 62.32 110.972 170.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' O ' HG12 ' A' ' 108' ' ' ILE . 3.1 mp0 -60.16 -48.06 83.32 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.76 1.224 . . . . 73.3 110.851 173.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.2 mt -78.48 -29.36 46.72 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 112.642 0.608 . . . . 73.22 112.642 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -65.2 -35.86 82.4 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 112.344 0.498 . . . . 75.42 112.344 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -79.57 -28.99 41.12 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.68 0.392 . . . . 73.11 111.654 175.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 104' ' ' GLU . 37.8 mm -79.38 90.57 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 CA-C-O 122.372 1.082 . . . . 64.45 111.789 -177.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -83.81 174.28 10.55 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.523 -1.217 . . . . 60.5 109.851 165.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.1 tptt 73.65 -51.11 0.7 Allowed 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 125.55 1.54 . . . . 75.11 112.004 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.405 ' HB3' HG22 ' A' ' 108' ' ' ILE . . . -71.57 -50.11 34.23 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.313 0.645 . . . . 73.14 110.721 171.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.2 mmt -123.91 91.9 3.56 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.286 0.634 . . . . 65.21 110.633 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.489 1.492 0 C-N-CA 123.88 0.872 . . . . 74.24 109.94 177.46 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 p . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 121.036 0.446 . . . . 41.31 111.688 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -157.37 135.58 11.09 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.674 1.189 . . . . 71.24 108.528 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 58.0 mtt -103.24 155.34 36.83 Favored Pre-proline 0 N--CA 1.489 1.475 0 C-N-CA 123.29 0.636 . . . . 62.43 110.256 -177.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.5 98.38 0.18 Allowed 'Trans proline' 0 C--N 1.371 1.716 0 C-N-CA 121.864 1.709 . . . . 72.12 111.06 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.475 HG11 ' HB1' ' A' ' 42' ' ' ALA . 49.1 t -58.48 118.18 26.1 Favored Pre-proline 0 N--CA 1.485 1.311 0 C-N-CA 123.355 0.662 . . . . 75.33 110.836 -175.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.38 160.32 35.87 Favored 'Trans proline' 0 C--N 1.373 1.848 0 C-N-CA 122.339 2.026 . . . . 75.32 113.408 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.4 m -78.14 160.37 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.189 0.596 . . . . 55.41 111.006 174.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.2 p -77.58 107.4 10.01 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.042 0.537 . . . . 72.5 111.629 -176.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.445 ' H ' ' HD3' ' A' ' 13' ' ' ARG . 36.7 t -71.86 -68.33 0.47 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.293 0.637 . . . . 64.02 110.455 177.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.59 164.39 12.11 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 108.332 -0.988 . . . . 72.12 108.332 166.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.11 1.66 5.55 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 113.403 0.89 . . . . 54.35 113.403 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.665 HG11 HG22 ' A' ' 55' ' ' THR . 58.6 t -58.54 -57.66 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 123.632 0.773 . . . . 70.41 112.172 174.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HD3' ' H ' ' A' ' 9' ' ' CYS . 4.6 ptm85 -68.15 -30.97 70.22 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.446 0.698 . . . . 64.4 111.991 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 38.2 t-20 -65.31 -44.08 88.98 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.037 0.535 . . . . 75.0 109.703 173.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -64.05 -36.44 84.0 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.958 0.903 . . . . 53.35 111.43 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.0 t -59.96 -53.51 56.99 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.587 0.755 . . . . 63.11 111.864 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -64.94 -31.67 73.01 Favored 'General case' 0 CA--C 1.556 1.179 0 O-C-N 123.138 0.274 . . . . 72.11 111.366 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 37.7 mm-40 -63.17 -40.94 98.98 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 122.792 0.437 . . . . 73.45 111.913 173.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 73.8 mtm -72.34 -38.0 68.7 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.172 0.589 . . . . 72.2 111.723 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.28 -41.69 85.06 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.73 0.412 . . . . 60.45 110.965 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.462 HG23 ' SG ' ' A' ' 37' ' ' CYS . 96.8 m -65.27 -31.74 73.04 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.296 0.638 . . . . 71.03 111.108 174.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.528 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -59.19 -37.65 77.92 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.247 0.619 . . . . 71.22 111.622 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.656 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -72.56 -31.05 64.95 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.618 0.767 . . . . 74.21 112.065 174.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.9 mt -82.37 -19.51 39.07 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.284 0.634 . . . . 74.34 112.205 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.528 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 8.3 pt20 -109.79 -4.18 16.23 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.489 0.715 . . . . 74.52 112.484 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 t -56.8 -33.29 66.54 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.655 0.741 . . . . 62.2 111.373 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -112.93 159.92 18.59 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.452 1.101 . . . . 54.13 108.813 163.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -82.06 44.09 0.83 Allowed 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.391 0.615 . . . . 74.42 110.41 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -72.45 -50.79 23.61 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.952 1.301 . . . . 75.42 110.617 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -60.77 -26.52 67.3 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.79 -0.641 . . . . 63.41 112.187 175.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -72.76 -41.98 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.234 0.614 . . . . 60.54 110.24 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.05 77.08 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.668 0.787 . . . . 73.32 111.893 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.9 mt -84.7 -22.53 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.402 0 C-N-CA 124.526 1.13 . . . . 74.41 111.648 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.74 50.46 9.15 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 113.696 0.238 . . . . 53.23 113.696 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.01 137.25 34.5 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.084 0.953 . . . . 43.45 110.858 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.14 103.57 8.16 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.3 0.64 . . . . 53.22 110.492 177.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' SG ' HG23 ' A' ' 21' ' ' THR . 16.2 p -66.84 -21.05 66.04 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.456 0.91 . . . . 75.41 113.456 -175.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -33.63 72.29 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.088 0.773 . . . . 61.12 113.088 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -84.33 -26.7 28.29 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.942 0.497 . . . . 62.3 111.749 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.4 -38.42 74.64 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.678 0.391 . . . . 62.44 111.498 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.1 p -62.56 -35.04 78.2 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.815 0.846 . . . . 54.15 111.687 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.475 ' HB1' HG11 ' A' ' 5' ' ' VAL . . . -60.27 -31.13 69.93 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.15 0.98 . . . . 73.24 112.201 173.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.511 ' HB3' ' HB2' ' A' ' 89' ' ' PRO . 34.9 tt0 -78.68 -24.35 45.13 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 112.755 0.65 . . . . 71.53 112.755 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.29 -44.36 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.112 -0.993 . . . . 72.32 108.632 163.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.54 -49.15 78.45 Favored 'General case' 0 CA--C 1.554 1.135 0 C-N-CA 124.73 1.212 . . . . 63.14 112.95 -175.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -50.39 -40.91 51.08 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 124.111 0.964 . . . . 70.34 112.024 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.607 ' SG ' ' HG2' ' A' ' 90' ' ' GLN . 65.8 m -77.67 -52.05 9.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.71 0.804 . . . . 64.41 112.182 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.8 tt -69.16 -25.07 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 122.725 0.41 . . . . 53.23 111.64 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.717 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 63.9 t80 -66.78 -26.03 66.76 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.69 0.796 . . . . 75.31 111.758 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -77.99 -38.13 45.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.526 0.73 . . . . 74.12 112.123 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.64 -56.84 3.13 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.881 0.697 . . . . 72.34 112.881 -176.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.516 HG12 ' HB2' ' A' ' 59' ' ' TYR . 1.3 t -115.81 -16.96 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 123.457 0.703 . . . . 75.24 112.239 -171.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.717 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -78.44 22.21 3.32 Favored Glycine 0 N--CA 1.482 1.721 0 N-CA-C 116.329 1.291 . . . . 72.52 116.329 -168.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -84.88 34.18 0.54 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.822 0.849 . . . . 65.31 111.431 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.665 HG22 HG11 ' A' ' 12' ' ' VAL . 27.7 p 53.74 33.62 17.2 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 125.312 1.445 . . . . 54.54 111.644 -169.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -67.26 164.71 17.74 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 125.319 1.448 . . . . 60.22 112.78 -173.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.8 ttm -60.95 -68.63 0.29 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.058 0.943 . . . . 64.42 111.627 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -57.68 -25.05 59.71 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 113.383 0.883 . . . . 70.35 113.383 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.516 ' HB2' HG12 ' A' ' 52' ' ' VAL . 33.3 t80 -51.44 -37.27 47.81 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.82 1.248 . . . . 74.31 113.552 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -68.23 -43.61 77.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.826 0.451 . . . . 75.33 111.807 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.423 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 5.6 m-80 -74.95 -29.68 61.0 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.168 0.587 . . . . 64.23 111.374 173.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -63.38 -42.65 98.83 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.143 0.577 . . . . 71.45 111.524 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.6 t -62.9 -55.12 25.61 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 CA-C-N 115.615 -0.72 . . . . 54.11 110.821 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.9 ptt180 -66.86 -30.17 70.27 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 112.643 0.608 . . . . 73.32 112.643 -174.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.0 m -72.63 -33.15 66.43 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 122.789 0.436 . . . . 64.41 111.625 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -72.37 -38.28 68.57 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.712 0.405 . . . . 74.5 110.587 173.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.656 HG23 ' HB2' ' A' ' 23' ' ' ALA . 95.7 mt -56.51 -42.71 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 C-N-CA 124.119 0.967 . . . . 63.33 110.831 170.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.7 t -59.0 -39.03 80.57 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.819 0.847 . . . . 75.04 111.803 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.418 HD22 ' N ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER -73.36 -28.84 62.26 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.069 0.548 . . . . 63.11 112.221 177.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.25 -15.4 60.99 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.4 0.68 . . . . 72.35 112.632 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -120.76 14.04 11.64 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.588 0.755 . . . . 74.41 111.536 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -82.46 149.83 27.38 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.388 0.675 . . . . 73.33 112.464 -170.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.46 -12.34 58.93 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.797 1.036 . . . . 71.21 113.797 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.69 -46.78 65.25 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 118.283 0.492 . . . . 74.12 111.223 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -156.01 89.33 2.84 Favored Pre-proline 0 CA--C 1.562 1.44 0 CA-C-N 116.385 -0.37 . . . . 62.22 111.144 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.98 -16.64 15.85 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.847 2.364 . . . . 71.41 112.014 168.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.53 -30.45 68.61 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.107 0.963 . . . . 55.21 111.413 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.47 -51.64 62.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.301 1.04 . . . . 73.31 111.578 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -56.34 -42.79 78.29 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.206 -0.907 . . . . 65.13 110.846 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -63.51 -41.49 98.52 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.386 0.674 . . . . 63.15 111.7 -178.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -61.93 -42.63 99.32 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.429 0.692 . . . . 75.21 111.796 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.2 t -66.64 -39.82 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 C-N-CA 122.952 0.501 . . . . 64.14 111.13 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.99 -33.48 74.71 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.647 0.779 . . . . 74.02 111.898 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.4 m -81.47 -14.11 57.39 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.461 0.704 . . . . 71.2 112.316 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.8 15.84 81.27 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 114.154 0.422 . . . . 60.3 114.154 -177.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.72 -58.83 5.21 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.627 0.771 . . . . 45.03 110.335 174.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.61 118.92 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 106.743 -1.577 . . . . 73.23 106.743 162.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.3 p -71.91 145.12 88.78 Favored Pre-proline 0 N--CA 1.48 1.046 0 N-CA-C 110.246 -0.279 . . . . 74.14 110.246 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.511 ' HB2' ' HB3' ' A' ' 43' ' ' GLN . 74.2 Cg_exo -53.97 -21.15 20.26 Favored 'Trans proline' 0 CA--C 1.565 2.042 0 C-N-CA 122.583 2.188 . . . . 73.52 114.283 173.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.607 ' HG2' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -67.36 -46.91 71.98 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.58 0.752 . . . . 72.11 109.628 172.547 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.67 -50.63 71.71 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.456 0.703 . . . . 75.02 111.638 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.507 HG22 ' HA ' ' A' ' 89' ' ' PRO . 8.2 tp -61.92 -30.42 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 N-CA-C 112.571 0.582 . . . . 73.1 112.571 -170.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.29 75.4 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.584 0.754 . . . . 72.54 112.546 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.4 m -94.27 -19.18 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 123.168 0.587 . . . . 75.04 112.339 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 83.9 mtp -64.25 137.65 58.04 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.485 0.55 . . . . 71.31 112.485 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 100' ' ' MET . 17.2 m -68.09 147.76 51.88 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.182 0.993 . . . . 74.4 110.831 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.1 p -50.84 -45.22 59.54 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.081 0.952 . . . . 61.14 113.562 -175.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.08 -48.21 71.72 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 112.761 0.652 . . . . 74.13 112.761 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.16 -17.06 64.48 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 112.146 0.425 . . . . 75.4 112.146 -177.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 96' ' ' THR . 39.7 mtm -70.11 -52.49 23.24 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-O 121.053 0.454 . . . . 73.21 111.257 173.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.7 -17.7 18.42 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 114.3 1.222 . . . . 73.22 114.3 -168.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.0 t -78.35 97.98 5.81 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.548 0.339 . . . . 74.54 110.977 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.16 -26.37 68.14 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.151 0.581 . . . . 74.3 111.352 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.48 -44.06 80.24 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.427 0.691 . . . . 74.12 111.189 172.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.91 -24.45 60.83 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 112.425 0.528 . . . . 62.15 112.425 177.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -72.16 -31.76 66.24 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.891 0.476 . . . . 62.3 111.642 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.13 -24.38 23.39 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.148 0.579 . . . . 74.45 111.793 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 37.4 mm -76.84 -14.45 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 123.23 0.612 . . . . 75.41 111.557 172.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 -51.82 -39.94 59.61 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.093 0.957 . . . . 74.25 113.501 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -74.71 -63.68 1.2 Allowed 'General case' 0 N--CA 1.484 1.237 0 O-C-N 122.357 -0.214 . . . . 61.1 111.353 174.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 61.12 179.2 0.11 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 124.623 1.169 . . . . 72.0 113.385 -176.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.1 ttt 58.59 35.91 24.82 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 124.25 1.02 . . . . 71.01 111.251 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.486 1.369 0 C-N-CA 124.053 0.941 . . . . 75.22 112.094 -174.08 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 110.639 -0.134 . . . . 74.04 110.639 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -72.01 119.51 16.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.749 0.42 . . . . 71.41 110.676 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.5 mtt -69.18 133.81 89.52 Favored Pre-proline 0 CA--C 1.563 1.475 0 C-N-CA 122.909 0.484 . . . . 75.11 110.826 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -59.3 143.7 99.65 Favored 'Trans proline' 0 C--N 1.377 2.038 0 C-N-CA 123.435 2.757 . . . . 73.15 115.135 -170.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.8 t -79.7 133.7 58.58 Favored Pre-proline 0 CA--C 1.562 1.421 0 C-N-CA 124.192 0.997 . . . . 60.55 109.539 173.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.415 ' HG2' HH12 ' A' ' 13' ' ' ARG . 67.1 Cg_endo -71.41 161.15 46.5 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.248 1.965 . . . . 74.34 113.022 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.4 152.1 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 C-N-CA 123.715 0.806 . . . . 72.21 110.963 173.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.694 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 82.0 p -65.08 98.39 0.3 Allowed 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 121.315 0.579 . . . . 73.42 112.275 -173.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.5 m -70.88 95.39 1.15 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.434 -0.803 . . . . 74.22 110.665 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.6 t70 65.92 172.66 0.23 Allowed 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 125.184 1.393 . . . . 54.33 112.065 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.442 ' HA ' ' HB3' ' A' ' 14' ' ' ASN . . . -66.5 -13.77 61.36 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.614 0.766 . . . . 52.44 112.304 174.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.0 t -57.73 -62.18 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.391 0.677 . . . . 65.24 111.277 171.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.694 ' HD2' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -73.08 -33.94 65.92 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.163 0.585 . . . . 74.53 111.382 -179.493 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 3.1 t-20 -59.34 -56.35 23.24 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.447 0.299 . . . . 74.44 110.754 177.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 19' ' ' MET . 87.0 tttt -61.71 -32.72 72.95 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.129 0.572 . . . . 63.31 111.717 178.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -58.09 -48.25 80.73 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.201 0.6 . . . . 63.44 111.94 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -63.22 -43.48 97.96 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.023 0.529 . . . . 73.02 110.143 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 60.4 mm-40 -58.02 -49.25 77.53 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.117 0.567 . . . . 74.2 112.257 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 24.5 ptt? -75.93 -28.21 57.89 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 113.154 0.798 . . . . 71.52 113.154 -176.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 45' ' ' GLU . 55.4 mt -69.62 -32.79 71.7 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 122.105 -0.372 . . . . 62.34 111.431 169.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.5 m -67.2 -38.55 85.5 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 120.887 0.375 . . . . 72.24 110.288 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -61.3 -35.52 77.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.737 0.815 . . . . 61.3 111.721 176.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.56 -30.98 71.79 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.91 0.884 . . . . 71.32 112.427 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.7 mt -87.34 -30.74 20.59 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.812 0.671 . . . . 62.03 112.812 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.612 ' HG2' ' HA ' ' A' ' 22' ' ' ALA . 2.5 pt20 -94.82 -4.44 47.13 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 123.254 0.622 . . . . 74.13 112.215 -176.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -51.79 -34.31 39.27 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 123.717 0.807 . . . . 70.5 112.188 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -130.75 173.04 11.32 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.653 1.181 . . . . 65.02 109.735 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -95.08 35.91 1.25 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.272 0.629 . . . . 73.42 112.376 -171.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.57 -52.4 52.57 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.56 0.744 . . . . 51.12 109.882 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.497 ' HB3' HD22 ' A' ' 83' ' ' LEU . 13.2 p80 -63.68 -24.95 67.99 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 114.954 -1.021 . . . . 74.22 112.156 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -71.53 -48.89 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 122.767 0.427 . . . . 71.42 110.482 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.95 -34.58 74.95 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 115.565 -0.743 . . . . 55.31 111.938 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -81.19 -34.41 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 C-N-CA 123.796 0.838 . . . . 73.03 111.65 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.09 18.81 41.7 Favored Glycine 0 N--CA 1.481 1.693 0 C-N-CA 122.942 0.306 . . . . 74.52 113.098 -174.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.581 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -84.74 134.95 34.32 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.601 1.161 . . . . 63.21 112.416 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 7.0 m-20 -82.43 97.26 8.29 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.614 0.766 . . . . 70.53 109.519 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.3 p -62.2 -35.34 78.56 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.211 0.819 . . . . 52.02 113.211 -169.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.14 -51.12 70.42 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.371 0.668 . . . . 61.12 111.832 173.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 60.1 ttt180 -57.72 -45.58 85.57 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 114.633 -1.167 . . . . 73.21 111.739 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.581 HD11 ' HB1' ' A' ' 35' ' ' ALA . 58.8 mt -65.44 -46.32 80.35 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.382 0.673 . . . . 71.3 111.244 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -56.69 -38.7 72.62 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.103 0.961 . . . . 73.44 112.145 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.08 76.43 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.571 0.749 . . . . 70.42 111.892 176.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 16.2 mm-40 -77.07 -32.4 56.77 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.156 0.583 . . . . 61.41 111.002 177.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.31 -53.37 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-O 121.386 0.612 . . . . 73.03 110.923 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.489 ' HA ' HG22 ' A' ' 48' ' ' ILE . 3.1 pp20? -69.79 -31.46 69.39 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.504 -0.771 . . . . 73.22 112.992 -171.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -31.71 70.44 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 111.874 0.324 . . . . 74.42 111.874 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 90' ' ' GLN . 83.4 m -67.11 -49.54 64.59 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.169 0.588 . . . . 75.24 111.583 174.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.504 HD11 ' HG3' ' A' ' 62' ' ' ARG . 9.3 tt -71.99 -23.61 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 122.834 0.454 . . . . 74.51 111.383 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.681 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 74.5 t80 -58.91 -38.46 78.97 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.651 0.78 . . . . 74.45 111.501 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -74.13 -27.39 60.83 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.865 -0.607 . . . . 71.02 112.384 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -88.98 -56.5 3.26 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 122.753 0.421 . . . . 72.41 112.117 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -115.17 -22.28 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 C-N-CA 123.512 0.725 . . . . 74.34 112.218 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.681 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -79.06 28.01 2.27 Favored Glycine 0 N--CA 1.477 1.375 0 N-CA-C 117.097 1.599 . . . . 22.24 117.097 -165.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.618 HD22 ' H ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -79.31 49.68 1.0 Allowed 'General case' 0 CA--C 1.568 1.65 0 CA-C-N 117.605 0.702 . . . . 72.22 111.253 169.386 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p 41.26 70.92 0.23 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.784 1.633 . . . . 73.12 112.395 -173.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -117.04 163.06 16.81 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.019 0.527 . . . . 72.21 112.26 -164.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 70.2 mtp -60.39 -63.99 1.11 Allowed 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 125.16 1.384 . . . . 72.34 112.088 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -25.86 68.55 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 112.464 0.542 . . . . 74.44 112.464 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -52.96 -39.42 62.93 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.862 0.865 . . . . 71.53 112.822 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -60.89 -48.76 80.35 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.909 0.484 . . . . 71.23 111.869 176.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.42 -35.15 79.6 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.509 0.723 . . . . 71.22 111.508 177.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.504 ' HG3' HD11 ' A' ' 48' ' ' ILE . 6.4 tpm_? -69.91 -37.9 76.09 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.153 0.981 . . . . 74.11 111.486 -176.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.5 t -72.86 -45.08 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 123.434 0.693 . . . . 74.34 111.917 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.7 ptm180 -69.57 -28.09 65.68 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 112.162 0.43 . . . . 71.52 112.162 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -66.42 -29.29 69.41 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.001 0.52 . . . . 72.41 111.967 170.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -65.69 -53.64 38.32 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 110.044 -0.354 . . . . 74.23 110.044 168.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 64' ' ' ARG . 78.0 mt -53.18 -45.7 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 C-N-CA 124.759 1.224 . . . . 75.23 112.693 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.6 p -59.77 -50.97 71.74 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.084 0.954 . . . . 34.42 111.827 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.45 -27.17 62.15 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.683 0.793 . . . . 72.2 112.905 -177.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.96 -43.39 88.07 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.619 0.368 . . . . 72.52 111.149 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -91.95 2.38 56.58 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 112.602 0.593 . . . . 71.23 112.602 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -78.18 148.32 34.11 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.089 0.556 . . . . 72.11 111.669 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.09 -14.19 51.07 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 113.586 0.958 . . . . 31.32 113.586 -173.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.17 -27.27 63.42 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 117.937 0.335 . . . . 74.34 111.729 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -144.67 87.88 7.31 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 122.817 0.447 . . . . 72.11 109.823 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.38 -34.37 35.0 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.974 2.449 . . . . 41.22 111.654 171.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.584 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 5.7 m-20 -68.82 -15.53 63.53 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.146 -0.934 . . . . 74.03 113.091 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.88 -52.17 66.19 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.719 0.407 . . . . 64.3 111.472 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -69.53 -45.52 68.63 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.691 0.396 . . . . 74.2 110.854 172.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.584 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 38.8 ttp180 -63.97 -30.45 71.53 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.295 1.038 . . . . 71.11 113.237 -170.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.62 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 94.8 m-20 -74.93 -33.85 62.02 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.227 0.611 . . . . 64.24 111.2 176.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.5 -37.35 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 121.425 0.631 . . . . 71.21 110.466 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 30' ' ' HIS . 67.8 mt -70.72 -37.34 73.51 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-N 115.114 -0.948 . . . . 71.32 111.689 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 26.5 p -85.98 -7.53 58.59 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 112.129 0.418 . . . . 72.31 112.129 177.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.33 11.98 82.68 Favored Glycine 0 C--N 1.35 1.36 0 N-CA-C 114.613 0.605 . . . . 64.55 114.613 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.74 -55.0 17.03 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.196 0.598 . . . . 72.25 109.995 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 74.3 mt -89.87 129.99 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 108.165 -1.05 . . . . 62.33 108.165 163.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.1 p -78.1 145.61 69.64 Favored Pre-proline 0 N--CA 1.482 1.136 0 O-C-N 122.178 -0.326 . . . . 71.41 110.211 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -51.48 -26.13 20.94 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 123.19 2.594 . . . . 63.54 114.89 176.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.439 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 1.6 tm0? -73.15 -44.77 59.56 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.095 0.558 . . . . 63.22 111.032 175.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -57.92 -56.65 19.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.409 0.683 . . . . 72.11 111.815 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.7 tp -57.43 -30.09 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 112.634 0.605 . . . . 71.14 112.634 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.95 80.46 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.466 0.706 . . . . 63.23 112.139 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.2 m -98.54 -11.64 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.479 0 N-CA-C 113.043 0.756 . . . . 34.4 113.043 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.6 mtp -69.91 127.02 31.43 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.808 0.843 . . . . 61.41 111.218 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.3 t -75.19 177.31 6.57 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.849 0.46 . . . . 63.13 111.983 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.8 p -59.06 -36.48 75.13 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.953 0.901 . . . . 71.13 111.748 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.21 -47.9 84.0 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 122.947 0.499 . . . . 72.11 110.697 173.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -64.52 -30.97 72.0 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.782 0.833 . . . . 65.53 113.076 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 70.2 mtm -73.55 -5.18 38.61 Favored 'General case' 0 CA--C 1.56 1.327 0 N-CA-C 112.208 0.447 . . . . 72.1 112.208 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -123.1 -2.72 8.61 Favored 'General case' 0 CA--C 1.563 1.474 0 C-N-CA 124.387 1.075 . . . . 61.41 111.704 170.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 65.3 m -122.66 16.65 10.32 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 124.211 1.004 . . . . 73.44 111.492 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -65.56 -19.06 65.77 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.709 0.804 . . . . 72.02 111.038 169.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -59.22 -42.26 90.6 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 124.22 1.008 . . . . 64.13 111.807 167.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.96 -15.65 56.67 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 113.967 1.099 . . . . 72.04 113.967 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -65.19 -31.39 72.55 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-O 121.38 0.61 . . . . 64.11 110.681 177.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -92.52 -44.58 8.56 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.031 0.932 . . . . 73.02 110.921 168.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.8 mm -89.63 86.16 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.306 0 CA-C-O 121.846 0.831 . . . . 73.22 111.577 -172.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -114.39 134.41 55.0 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.134 -1.062 . . . . 74.0 108.134 169.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.1 tptt 65.88 58.05 0.78 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.65 1.18 . . . . 73.15 109.703 -175.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.28 103.0 1.84 Allowed 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.076 -0.966 . . . . 62.41 111.697 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 62.9 mtm -124.7 138.06 54.31 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.171 0.988 . . . . 72.53 109.614 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 CA--C 1.566 1.581 0 C-N-CA 122.877 0.471 . . . . 54.34 111.31 178.173 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.7 p . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.598 0.237 . . . . 64.44 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -71.34 100.74 2.22 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.359 0.663 . . . . 74.43 110.744 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -70.75 140.26 86.47 Favored Pre-proline 0 CA--C 1.561 1.38 0 C-N-CA 123.246 0.618 . . . . 72.42 110.942 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.12 91.78 0.21 Allowed 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.667 2.244 . . . . 54.22 112.26 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.9 130.28 67.5 Favored Pre-proline 0 CA--C 1.563 1.476 0 C-N-CA 123.481 0.713 . . . . 54.13 110.922 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -66.37 147.56 83.07 Favored 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 122.623 2.215 . . . . 55.44 111.794 173.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 m -137.53 94.28 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 C-N-CA 123.906 0.883 . . . . 73.31 111.082 -168.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.7 m -144.09 100.17 3.51 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.178 0.591 . . . . 74.13 110.801 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.8 -42.1 13.56 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.929 0.871 . . . . 74.02 109.343 168.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -167.76 174.56 7.52 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 113.447 -1.706 . . . . 74.5 108.626 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.24 -29.81 58.78 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 123.524 0.729 . . . . 31.01 112.166 171.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.86 -52.08 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.247 0.619 . . . . 75.23 111.653 173.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -63.08 -46.91 85.17 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.437 0.295 . . . . 64.43 111.681 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 47.5 t-20 -57.59 -47.99 80.63 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.511 0.724 . . . . 64.22 110.578 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.21 -40.02 92.4 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.178 0.991 . . . . 73.22 112.013 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.1 m -71.6 -31.66 67.17 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.026 0.53 . . . . 64.22 112.209 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -67.82 -37.31 81.8 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.463 0.305 . . . . 74.04 110.427 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 20.2 mm-40 -62.62 -33.54 75.22 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.152 -0.476 . . . . 72.13 111.344 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.405 ' HB2' ' HE3' ' A' ' 19' ' ' MET . 50.7 mtm -75.04 -34.94 61.92 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 123.101 0.56 . . . . 61.01 111.998 174.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.14 -41.08 95.13 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.657 0.783 . . . . 45.44 111.179 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -66.23 -42.01 89.24 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.752 0.821 . . . . 24.02 109.801 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -29.11 69.24 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.333 1.053 . . . . 65.1 112.6 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -69.1 -30.5 68.81 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.25 0.62 . . . . 64.12 111.89 173.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HB3' HD21 ' A' ' 83' ' ' LEU . 66.0 mt -86.7 -26.58 24.19 Favored 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 123.938 0.895 . . . . 64.21 112.381 178.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -111.19 29.48 7.76 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 124.667 1.187 . . . . 74.44 109.738 175.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 t -57.68 -33.66 68.59 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.923 0.889 . . . . 74.14 112.174 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -127.98 -88.99 0.54 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 107.802 -1.184 . . . . 62.14 107.802 158.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -147.68 35.58 0.86 Allowed 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.344 1.058 . . . . 73.44 109.869 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.74 -38.76 76.94 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.015 -0.993 . . . . 74.41 112.572 -170.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -70.41 -24.82 62.99 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 111.863 0.32 . . . . 71.12 111.863 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.0 t -73.81 -33.14 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 124.147 0.979 . . . . 64.12 110.604 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.05 -31.53 61.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.137 0.975 . . . . 62.54 112.849 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.515 HG21 ' HA ' ' A' ' 84' ' ' CYS . 4.5 mp -100.74 -40.5 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 123.28 0.632 . . . . 75.51 110.208 175.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.73 18.89 11.74 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-N 115.802 -0.635 . . . . 55.41 113.826 -177.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -91.31 134.97 34.14 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.378 0.671 . . . . 45.11 111.309 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.574 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 11.4 m-20 -76.56 106.98 8.52 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.179 0.592 . . . . 62.14 111.357 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 p -64.41 -23.63 67.35 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.338 1.236 . . . . 74.02 114.338 -171.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.89 -40.24 63.34 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 113.212 0.819 . . . . 61.35 113.212 -177.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.574 ' HE ' ' HB2' ' A' ' 36' ' ' ASP . 30.2 ptt180 -74.83 -28.99 60.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.932 -0.48 . . . . 75.12 110.855 175.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.441 HD11 ' HB1' ' A' ' 35' ' ' ALA . 86.2 mt -67.26 -53.39 30.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.828 0.451 . . . . 74.31 110.932 175.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.8 p -54.39 -38.19 65.89 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.123 0.969 . . . . 72.33 112.346 -176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.04 93.03 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 123.971 0.908 . . . . 61.22 112.009 175.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -70.4 -42.72 71.28 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.778 0.831 . . . . 71.31 111.989 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -59.61 -45.17 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.239 0.615 . . . . 73.41 110.154 172.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.59 -42.76 98.24 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.394 0.678 . . . . 74.32 112.08 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.59 -43.8 72.45 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.516 0.726 . . . . 65.22 112.233 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.8 m -73.84 -35.93 64.84 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.642 -0.708 . . . . 63.32 112.581 -175.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.4 tt -80.42 -26.67 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 O-C-N 122.142 -0.349 . . . . 71.33 111.083 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -59.89 -25.23 64.92 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 124.883 1.273 . . . . 74.43 113.025 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -51.09 -55.33 18.21 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.517 1.127 . . . . 72.02 112.316 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.94 -52.43 4.86 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.609 0.719 . . . . 72.05 111.608 172.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.442 HG12 ' HD1' ' A' ' 59' ' ' TYR . 71.2 t -70.39 -32.71 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 114.799 -1.091 . . . . 74.31 113.802 -166.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.83 30.43 1.07 Allowed Glycine 0 N--CA 1.483 1.79 0 N-CA-C 117.089 1.596 . . . . 43.23 117.089 -169.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.56 5.62 27.0 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.274 1.03 . . . . 74.34 112.961 175.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 49.4 p 67.09 -57.33 0.42 Allowed 'General case' 0 N--CA 1.507 2.401 0 C-N-CA 126.8 2.04 . . . . 74.42 113.857 -177.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.61 129.83 43.88 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 124.304 1.041 . . . . 75.31 112.912 177.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.3 tmm? 58.11 -79.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 125.903 1.681 . . . . 72.53 114.08 172.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -59.98 -38.93 84.0 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.91 0.884 . . . . 73.11 113.097 -171.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.442 ' HD1' HG12 ' A' ' 52' ' ' VAL . 34.3 t80 -70.74 -31.59 68.46 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.671 0.388 . . . . 73.22 111.672 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 9.4 mmpt? -72.69 -52.46 15.12 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 122.282 -0.261 . . . . 74.13 111.54 172.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.48 HD22 ' N ' ' A' ' 61' ' ' ASN . 0.7 OUTLIER -77.41 -51.27 11.07 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.911 0.884 . . . . 74.25 112.854 -169.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -76.8 -27.57 55.28 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 112.568 0.581 . . . . 71.05 112.568 -173.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.2 t -72.14 -48.03 51.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 118.829 -0.605 . . . . 63.25 110.93 174.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -62.45 -35.1 78.21 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-N 118.454 0.57 . . . . 71.21 111.013 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -63.78 -44.4 93.48 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.452 0.701 . . . . 70.3 111.428 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.556 ' HG3' ' SD ' ' A' ' 100' ' ' MET . 17.8 ttm-85 -67.45 -44.24 79.13 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.759 0.423 . . . . 74.12 110.958 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' ' 23' ' ' ALA . 98.3 mt -55.48 -37.42 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 124.423 1.089 . . . . 63.03 111.488 171.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.7 t -64.24 -45.32 88.69 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.214 0.605 . . . . 75.05 111.434 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -66.83 -28.83 68.67 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 122.899 0.48 . . . . 63.22 112.058 175.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.494 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 94.0 mt -72.36 -48.85 38.47 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 122.738 0.415 . . . . 72.4 111.361 176.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HE3' HG22 ' A' ' 67' ' ' ILE . 18.6 ptpt -82.34 4.13 25.1 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 122.796 0.438 . . . . 74.04 112.085 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -70.34 128.58 36.69 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.574 0.75 . . . . 73.52 111.559 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.44 -24.19 60.21 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.37 0.668 . . . . 53.32 112.047 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -74.77 -33.84 62.35 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 122.515 0.326 . . . . 72.13 110.915 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -113.87 81.15 5.69 Favored Pre-proline 0 N--CA 1.49 1.559 0 C-N-CA 123.377 0.671 . . . . 75.43 111.196 172.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.36 -25.74 4.53 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.082 1.855 . . . . 74.22 111.977 167.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.79 -37.68 79.45 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.258 1.023 . . . . 54.3 111.738 -174.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 58.6 tp -53.81 -56.58 16.28 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.432 0.693 . . . . 74.41 111.985 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' HD3' ' O ' ' A' ' 70' ' ' LEU . 27.9 ptt-85 -71.79 -32.64 67.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.702 0.401 . . . . 72.3 111.33 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.468 ' HD2' HD11 ' A' ' 33' ' ' ILE . 8.6 tpt180 -58.23 -44.73 88.37 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.553 0.741 . . . . 71.42 111.127 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -65.82 -38.43 88.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.625 0.77 . . . . 72.2 111.922 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.1 t -64.27 -46.62 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-O 121.581 0.705 . . . . 73.21 110.936 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 24' ' ' LEU . 69.0 mt -72.06 -24.64 61.55 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.45 1.1 . . . . 74.13 112.098 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.515 ' HA ' HG21 ' A' ' 33' ' ' ILE . 42.9 t -87.33 -13.91 42.26 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.921 0.888 . . . . 61.42 111.55 176.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.32 -4.14 82.45 Favored Glycine 0 CA--C 1.536 1.382 0 CA-C-O 119.608 -0.551 . . . . 74.21 114.29 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.24 81.45 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.58 0.752 . . . . 72.03 111.373 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 73.9 mt -89.16 130.95 37.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 108.934 -0.765 . . . . 33.24 108.934 165.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.4 p -80.46 154.67 74.1 Favored Pre-proline 0 N--CA 1.487 1.376 0 C-N-CA 123.049 0.54 . . . . 71.11 111.238 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -47.46 -39.85 28.94 Favored 'Trans proline' 0 C--N 1.384 2.427 0 C-N-CA 123.671 2.914 . . . . 41.12 115.339 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -77.07 -39.46 49.67 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.35 0.5 . . . . 65.52 112.35 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' A' ' 95' ' ' MET . 61.3 tt0 -57.21 -51.42 69.42 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.645 0.778 . . . . 71.52 112.062 -174.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.4 tp -61.8 -37.95 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 123.348 0.659 . . . . 70.03 112.438 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.42 -39.72 62.43 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.502 0.721 . . . . 71.3 112.942 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.3 m -85.02 -8.3 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 123.67 0.788 . . . . 74.13 112.032 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 91' ' ' GLN . 39.9 ttp -72.85 150.18 42.89 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.58 0.752 . . . . 71.1 112.725 -169.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.9 m -62.22 147.96 46.23 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.305 1.042 . . . . 62.12 111.782 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.1 t -59.46 -41.44 89.72 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.914 0.886 . . . . 42.24 111.887 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -55.76 -42.11 74.97 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.725 0.81 . . . . 45.41 111.717 174.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.418 ' HB2' ' HG2' ' A' ' 95' ' ' MET . 43.2 mt-10 -71.86 -25.35 61.92 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.075 -0.511 . . . . 74.24 112.375 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.556 ' SD ' ' HG3' ' A' ' 66' ' ' ARG . 52.1 mtm -69.29 -25.56 64.31 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.106 0.479 . . . . 65.41 110.919 173.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.71 -15.47 30.22 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.546 0.739 . . . . 52.41 112.68 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 99.2 p -150.38 34.82 0.64 Allowed 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 113.622 0.971 . . . . 62.53 113.622 -171.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.475 ' HA ' ' HE2' ' A' ' 106' ' ' LYS . 22.3 t70 -59.98 -33.7 72.3 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 121.544 0.687 . . . . 73.24 111.446 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -63.61 -41.71 98.27 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.307 -1.315 . . . . 75.43 110.791 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.8 mt -63.56 -20.11 65.37 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 113.861 1.06 . . . . 74.04 113.861 -173.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' A' ' 103' ' ' ASP . 56.7 mtmt -66.55 -13.43 60.99 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 113.056 0.761 . . . . 72.43 113.056 176.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.3 -14.85 3.75 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.726 0.811 . . . . 73.15 112.074 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.9 mm -97.3 -57.0 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 C-N-CA 123.247 0.619 . . . . 73.45 111.493 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 60.38 -80.34 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 124.935 1.294 . . . . 70.43 112.215 -173.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -146.83 93.91 2.35 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 108.004 -1.11 . . . . 75.24 108.004 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.54 -177.71 5.12 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.59 0.756 . . . . 71.22 112.384 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -162.32 152.23 16.37 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.243 1.017 . . . . 73.13 110.482 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 39.7 p . . . . . 0 N--CA 1.495 1.8 0 C-N-CA 123.276 0.63 . . . . 65.34 110.704 173.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.475 0.178 . . . . 74.21 111.059 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -74.43 96.1 2.83 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.151 0.581 . . . . 72.24 110.167 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.4 mtt -125.81 136.27 28.18 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 123.621 0.768 . . . . 72.11 110.467 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -46.21 112.47 0.46 Allowed 'Trans proline' 0 C--N 1.384 2.436 0 C-N-CA 123.679 2.919 . . . . 72.42 114.304 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.5 t -65.79 124.22 86.92 Favored Pre-proline 0 CA--C 1.559 1.321 0 C-N-CA 123.769 0.828 . . . . 45.12 111.113 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -65.19 -169.85 0.14 Allowed 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 123.139 2.559 . . . . 52.33 114.305 173.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.87 158.27 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.644 0.778 . . . . 61.23 111.444 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -86.34 165.49 16.36 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.247 0.619 . . . . 72.15 111.312 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 13' ' ' ARG . 92.9 m -145.56 153.51 41.16 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 112.709 0.633 . . . . 60.04 112.709 -172.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 58.0 -169.83 0.11 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.718 1.207 . . . . 54.14 113.407 172.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.71 -13.07 34.83 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.249 0.62 . . . . 52.13 110.892 168.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.0 t -70.49 -63.67 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.14 0.576 . . . . 71.52 110.693 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 9' ' ' CYS . 29.4 ttt180 -74.68 -44.42 50.26 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 115.764 -0.653 . . . . 64.12 112.589 -175.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -62.73 -39.86 95.39 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 112.084 0.402 . . . . 71.21 112.084 -173.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.83 -33.96 76.76 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.022 -0.535 . . . . 74.34 111.126 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 71.5 m -61.67 -41.96 98.27 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.832 0.453 . . . . 74.34 111.574 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -58.65 -49.0 79.13 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.32 0.648 . . . . 73.44 110.624 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.68 -25.92 67.55 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.195 0.813 . . . . 72.11 113.195 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.1 mtm -75.54 -34.46 60.75 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 123.236 0.615 . . . . 74.24 112.128 171.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 91.7 mt -69.35 -34.44 74.61 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.061 0.458 . . . . 71.4 110.422 173.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -66.45 -43.71 84.81 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.857 0.863 . . . . 52.43 109.649 171.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.38 70.31 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.377 1.071 . . . . 75.03 112.323 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -60.62 -42.61 97.2 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.625 0.726 . . . . 71.31 111.563 171.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 76.0 mt -82.28 -19.26 39.85 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 114.969 -1.014 . . . . 70.22 112.856 -175.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -122.48 20.61 10.35 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 123.519 0.728 . . . . 65.32 111.57 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.431 HG21 ' HB2' ' A' ' 71' ' ' LYS . 13.7 t -59.46 -30.62 68.64 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 123.571 0.748 . . . . 73.45 112.161 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -111.07 -89.17 0.5 Allowed 'General case' 0 CA--C 1.557 1.245 0 N-CA-C 107.708 -1.219 . . . . 54.12 107.708 166.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -165.93 40.55 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.222 1.809 . . . . 75.14 107.632 168.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.93 -56.0 26.27 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.692 0.797 . . . . 74.31 112.516 -166.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.659 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 20.2 m-70 -76.82 -24.21 52.77 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 112.62 0.6 . . . . 75.24 112.62 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.68 -32.9 57.15 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 0 C-N-CA 124.385 1.074 . . . . 75.51 111.632 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.67 -48.08 66.75 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.55 1.14 . . . . 71.53 113.048 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.641 HD12 HD22 ' A' ' 83' ' ' LEU . 58.9 mt -91.77 -13.84 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.508 0.723 . . . . 71.14 111.139 178.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.58 22.25 34.68 Favored Glycine 0 N--CA 1.48 1.583 0 O-C-N 122.042 -0.411 . . . . 74.43 113.674 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.52 113.33 21.15 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.51 0.724 . . . . 62.14 110.342 175.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.38 107.58 0.51 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.196 0.599 . . . . 73.4 111.688 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 30' ' ' HIS . 57.0 m -56.69 -34.56 67.53 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.943 0.897 . . . . 63.12 112.107 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.7 -45.04 88.28 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 124.627 1.171 . . . . 73.12 113.666 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -69.13 -30.77 69.09 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 120.963 0.411 . . . . 73.54 111.194 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.19 -55.79 12.64 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.595 0.758 . . . . 72.34 109.439 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -59.04 -30.15 67.81 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.415 1.486 . . . . 42.31 113.447 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.37 93.62 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.259 0.624 . . . . 74.45 111.188 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.455 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 97.3 mt-30 -76.74 -34.74 58.06 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.826 -0.625 . . . . 63.53 112.016 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.0 -45.01 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 122.863 0.465 . . . . 63.31 109.887 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 49' ' ' PHE . 36.1 tt0 -58.89 -54.0 52.09 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.823 0.849 . . . . 74.34 111.492 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 71.4 mm-40 -55.49 -47.34 76.32 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 112.765 0.654 . . . . 73.43 112.765 -177.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.527 ' SG ' ' HG2' ' A' ' 90' ' ' GLN . 64.0 m -67.69 -40.16 84.37 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.457 0.703 . . . . 72.54 112.587 -175.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' A' ' 62' ' ' ARG . 14.4 tt -76.34 -25.38 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 120.683 0.277 . . . . 73.35 110.789 174.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.626 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 24.1 t80 -71.89 -35.89 69.88 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.499 0.72 . . . . 60.21 111.452 -177.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 15.9 mmp_? -58.18 -51.77 68.33 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.263 0.625 . . . . 74.52 111.691 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -85.63 -55.78 3.82 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.471 0.709 . . . . 73.0 112.103 -174.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 59' ' ' TYR . 21.4 t -96.12 -38.29 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 123.275 0.63 . . . . 75.35 111.982 -172.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.626 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -79.57 32.78 2.1 Favored Glycine 0 C--N 1.342 0.915 0 N-CA-C 116.381 1.312 . . . . 60.43 116.381 -168.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -76.84 38.9 0.21 Allowed 'General case' 0 CA--C 1.573 1.841 0 CA-C-N 117.681 0.741 . . . . 73.02 111.898 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.3 p 38.16 72.01 0.14 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 125.755 1.622 . . . . 63.14 112.648 -172.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -139.91 171.92 13.51 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.348 -0.842 . . . . 74.24 110.481 -172.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -55.31 -44.12 75.49 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 113.399 0.889 . . . . 74.22 113.399 -175.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -29.63 67.17 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 112.801 0.667 . . . . 54.14 112.801 -177.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.541 ' HA ' HG12 ' A' ' 52' ' ' VAL . 8.3 t80 -54.03 -36.78 63.39 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 124.424 1.09 . . . . 75.11 113.78 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -64.49 -54.66 28.9 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 111.875 0.324 . . . . 73.04 111.875 -178.248 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -70.96 -29.02 64.91 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.892 0.477 . . . . 75.11 112.026 -175.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HB3' HD11 ' A' ' 48' ' ' ILE . 10.3 mpt_? -69.01 -40.29 78.77 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.552 0.341 . . . . 74.02 111.251 176.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 67' ' ' ILE . 54.1 t -64.14 -47.75 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 O-C-N 123.183 0.302 . . . . 75.34 110.379 171.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.596 ' HA ' HD12 ' A' ' 67' ' ' ILE . 68.9 mtp180 -65.65 -30.68 71.41 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.267 0.627 . . . . 61.53 112.634 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.1 t -74.79 -39.94 61.43 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.058 0.543 . . . . 53.01 110.225 174.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' NH1' ' SD ' ' A' ' 100' ' ' MET . 5.3 tpm_? -57.76 -42.33 83.8 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.515 0.726 . . . . 64.11 110.565 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 64' ' ' ARG . 62.6 mt -61.62 -54.69 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.975 0.91 . . . . 75.22 110.528 173.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 t -52.62 -43.19 65.23 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 125.101 1.36 . . . . 72.31 113.046 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -75.06 -27.63 60.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.677 0.791 . . . . 74.44 112.283 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.554 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 79.2 mt -83.59 -10.95 57.91 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.019 0.528 . . . . 73.24 111.996 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' HB2' HG21 ' A' ' 26' ' ' THR . 14.3 ptmm? -121.95 7.57 9.84 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.426 0.691 . . . . 72.34 111.896 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.38 134.72 49.37 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 112.64 0.607 . . . . 73.11 112.64 -170.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.02 -39.1 56.42 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.879 0.872 . . . . 65.32 111.616 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -71.71 -30.98 66.25 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.04 0.536 . . . . 75.51 111.276 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.403 ' OD1' ' HA ' ' A' ' 101' ' ' ALA . 12.1 t30 -124.33 78.61 60.99 Favored Pre-proline 0 CA--C 1.561 1.388 0 C-N-CA 123.746 0.818 . . . . 73.43 110.073 174.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -88.04 -3.98 7.01 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 123.257 2.638 . . . . 73.12 112.697 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.5 -43.42 98.87 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.685 0.794 . . . . 64.2 110.303 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 100' ' ' MET . 47.4 tp -57.72 -41.88 82.69 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.759 0.824 . . . . 70.34 112.382 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 17.1 mtp180 -52.85 -49.58 65.49 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.743 0.817 . . . . 73.2 110.946 175.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -66.26 -39.76 89.67 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 125.137 1.375 . . . . 73.15 112.815 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.587 ' HB3' HD13 ' A' ' 87' ' ' ILE . 6.5 m-20 -69.81 -36.86 76.01 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.814 0.846 . . . . 74.42 112.095 -176.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.6 t -83.22 -24.05 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 C-N-CA 123.228 0.611 . . . . 72.53 110.628 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -59.03 -55.37 36.03 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.425 1.09 . . . . 64.3 111.222 177.373 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 28.8 p -80.88 -6.36 58.53 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.396 -0.82 . . . . 75.24 112.036 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.33 29.21 50.66 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 114.245 0.458 . . . . 70.12 114.245 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.89 -40.9 78.93 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.005 0.522 . . . . 65.02 110.951 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.587 HD13 ' HB3' ' A' ' 81' ' ' ASN . 2.3 mp -100.75 133.14 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.852 0.861 . . . . 73.11 108.95 171.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.4 p -78.41 148.4 73.8 Favored Pre-proline 0 N--CA 1.487 1.412 0 C-N-CA 122.581 0.352 . . . . 72.25 111.044 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 43' ' ' GLN . 71.5 Cg_exo -55.05 -20.73 24.55 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 123.411 2.74 . . . . 71.25 115.123 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.527 ' HG2' ' SG ' ' A' ' 47' ' ' CYS . 22.6 tm0? -74.09 -47.92 33.23 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.48 0.312 . . . . 70.12 110.288 174.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -62.25 -49.18 76.72 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 115.989 -0.551 . . . . 71.31 111.644 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.455 HD13 HD11 ' A' ' 78' ' ' LEU . 8.7 tp -57.84 -29.3 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.501 0 N-CA-C 112.764 0.654 . . . . 72.32 112.764 -175.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.72 -32.89 73.01 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.361 0.664 . . . . 72.42 112.258 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.6 m -106.47 -7.16 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 113.398 0.888 . . . . 63.24 113.398 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 88.5 mtp -73.93 132.2 42.21 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 112.409 0.522 . . . . 71.43 112.409 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.5 ' HB ' ' HG2' ' A' ' 99' ' ' GLU . 16.6 m -70.39 161.8 29.81 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.861 1.264 . . . . 70.44 110.996 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.6 p -50.04 -45.23 52.01 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.401 1.081 . . . . 72.1 113.278 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.48 -32.55 71.51 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.379 0.671 . . . . 65.22 112.64 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.5 ' HG2' ' HB ' ' A' ' 96' ' ' THR . 9.6 mm-40 -68.37 -38.71 81.65 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.77 0.795 . . . . 74.22 110.387 177.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.513 ' HB3' HD22 ' A' ' 78' ' ' LEU . 74.4 mtm -76.65 -14.87 59.94 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.716 -1.129 . . . . 53.03 112.769 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.403 ' HA ' ' OD1' ' A' ' 75' ' ' ASN . . . -73.58 -31.74 63.76 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.145 0.578 . . . . 65.22 111.753 177.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 76.5 p 53.88 19.94 2.15 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 125.874 1.67 . . . . 63.44 114.583 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.21 -28.83 63.21 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.035 0.934 . . . . 63.21 112.76 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -54.88 -40.01 69.29 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.396 1.078 . . . . 72.33 111.839 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.9 mt -78.26 -19.67 53.22 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.952 1.093 . . . . 65.3 113.952 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -65.34 -22.6 66.84 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 114.324 1.231 . . . . 54.14 114.324 -170.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -107.23 -1.83 21.41 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 118.418 0.554 . . . . 65.52 112.474 176.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.2 mm -79.55 -14.6 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 C-N-CA 123.005 0.522 . . . . 61.33 111.153 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 72.79 -66.76 0.29 Allowed 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 125.402 1.481 . . . . 73.2 113.037 173.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -140.16 105.3 5.01 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.592 0.757 . . . . 55.14 109.73 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -125.61 140.05 53.06 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.866 0.866 . . . . 71.31 111.175 -172.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 21.0 ptp -162.4 -27.7 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.378 0.671 . . . . 73.43 112.229 -177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.4 p . . . . . 0 CA--C 1.562 1.439 0 C-N-CA 123.12 0.568 . . . . 74.4 111.658 -178.216 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.1 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.65 0.262 . . . . 54.33 110.93 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -140.35 99.07 3.56 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.711 0.805 . . . . 71.1 110.151 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.1 ptm -159.88 149.87 14.92 Favored Pre-proline 0 N--CA 1.488 1.435 0 C-N-CA 123.829 0.852 . . . . 74.3 110.603 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.5 176.26 10.11 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.578 2.185 . . . . 72.34 112.566 172.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.426 HG11 ' HB1' ' A' ' 42' ' ' ALA . 32.1 m -67.63 147.09 98.72 Favored Pre-proline 0 CA--C 1.567 1.613 0 C-N-CA 123.026 0.53 . . . . 73.04 111.051 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 46' ' ' GLU . 79.3 Cg_endo -73.01 155.88 52.46 Favored 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.506 2.137 . . . . 70.54 113.157 -175.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.0 m -62.77 148.22 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 123.595 0.758 . . . . 73.33 111.642 175.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.616 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . 48.9 p -63.43 -38.69 92.12 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.57 0.748 . . . . 60.51 112.716 -172.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.677 ' HB3' HH11 ' A' ' 13' ' ' ARG . 42.8 t 56.08 102.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.891 1.276 . . . . 73.23 111.99 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 65.98 -78.02 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.816 1.246 . . . . 73.53 109.521 -166.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.16 10.39 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.029 1.332 . . . . 73.34 110.321 172.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -75.34 -41.56 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 113.458 0.91 . . . . 71.24 113.458 -162.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.677 HH11 ' HB3' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -57.79 -51.27 70.27 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.849 -0.426 . . . . 71.54 109.849 172.093 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.425 HD22 ' NH2' ' A' ' 17' ' ' ARG . 28.8 t-20 -59.55 -32.96 70.82 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.305 1.042 . . . . 72.32 112.019 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -73.52 -33.06 64.58 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.336 0.655 . . . . 53.41 111.155 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.1 m -71.82 -39.46 69.77 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.349 -0.387 . . . . 73.53 110.614 173.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.425 ' NH2' HD22 ' A' ' 14' ' ' ASN . 41.9 ttp180 -62.13 -46.92 86.86 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.98 0.512 . . . . 74.45 111.54 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.81 -35.45 74.71 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 112.145 0.424 . . . . 60.42 112.145 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.8 mtm -74.64 -44.04 52.42 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.145 0.578 . . . . 55.41 112.302 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.54 -48.69 79.87 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.495 0.718 . . . . 52.52 110.976 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.454 HG23 ' SG ' ' A' ' 37' ' ' CYS . 85.7 m -61.11 -36.87 80.86 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.821 1.248 . . . . 73.41 111.817 176.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -30.96 70.92 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.053 0.541 . . . . 71.45 112.16 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.626 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -68.91 -37.06 78.71 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.693 0.397 . . . . 72.31 110.843 170.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.6 HD23 ' HG2' ' A' ' 79' ' ' ARG . 73.3 mt -73.85 -7.68 53.17 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 123.677 0.791 . . . . 53.41 112.022 173.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.482 ' HG2' ' CD2' ' A' ' 30' ' ' HIS . 43.1 mt-30 -120.58 23.5 10.77 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.838 1.255 . . . . 73.11 111.149 173.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.4 HG22 ' HE ' ' A' ' 79' ' ' ARG . 12.1 t -58.84 -30.11 67.43 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.573 0.583 . . . . 74.24 112.573 -176.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -133.59 34.95 3.42 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.011 0.924 . . . . 62.43 109.27 170.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.6 m170 58.32 33.36 23.06 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.908 1.283 . . . . 74.24 111.7 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.92 -45.46 90.3 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.764 1.225 . . . . 74.2 113.208 -163.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.482 ' CD2' ' HG2' ' A' ' 25' ' ' GLN . 2.8 p80 -58.96 -23.49 61.63 Favored 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 123.946 0.898 . . . . 71.25 113.203 -176.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.28 -54.43 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.317 0.647 . . . . 74.41 110.594 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.64 69.48 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.554 0.742 . . . . 70.2 112.097 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.0 mt -79.44 -32.05 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 C-N-CA 123.432 0.693 . . . . 74.51 111.493 175.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.5 50.68 5.58 Favored Glycine 0 CA--C 1.535 1.343 0 N-CA-C 113.834 0.294 . . . . 52.23 113.834 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 30' ' ' HIS . . . -135.87 137.1 41.13 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.658 0.783 . . . . 72.02 110.316 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.95 97.83 2.9 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.232 0.539 . . . . 61.33 110.853 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' A' ' 21' ' ' THR . 13.0 p -63.69 -33.42 75.61 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.181 0.992 . . . . 64.14 112.181 -178.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.36 -35.29 80.52 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.68 0.792 . . . . 70.23 112.002 174.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -70.55 -43.61 69.16 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.746 0.818 . . . . 62.41 109.68 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.492 HD12 HD23 ' A' ' 83' ' ' LEU . 74.3 mt -62.87 -45.06 94.32 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.865 -0.607 . . . . 71.42 110.728 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 29.9 t -64.59 -30.63 71.66 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.83 0.852 . . . . 60.13 112.027 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.426 ' HB1' HG11 ' A' ' 5' ' ' VAL . . . -64.52 -39.77 94.39 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.185 0.594 . . . . 53.34 111.805 174.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -73.46 -33.17 64.74 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 115.725 -0.671 . . . . 73.41 110.958 175.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 41' ' ' SER . 91.3 mt -62.48 -39.8 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.908 0.883 . . . . 64.24 111.294 174.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 41' ' ' SER . 46.7 mt-10 -52.67 -49.96 64.22 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.6 0.76 . . . . 75.4 112.407 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.62 ' HB3' ' HD3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -73.16 -33.31 65.4 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.71 0.404 . . . . 70.43 111.77 -179.446 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 78.0 m -70.45 -34.47 72.48 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.425 0.69 . . . . 74.12 112.689 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.441 ' O ' ' HB ' ' A' ' 52' ' ' VAL . 14.9 tt -83.37 -30.38 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 N-CA-C 109.626 -0.509 . . . . 71.33 109.626 175.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -57.94 -25.56 61.1 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.55 1.14 . . . . 74.52 113.002 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -55.41 -68.04 0.23 Allowed 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.046 0.938 . . . . 74.24 112.301 -177.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.87 -32.8 15.89 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.126 0.57 . . . . 71.14 112.135 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.636 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 94.2 t -94.83 -23.31 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 113.537 0.94 . . . . 72.11 113.537 -168.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.04 29.53 1.11 Allowed Glycine 0 CA--C 1.545 1.932 0 N-CA-C 116.467 1.347 . . . . 63.23 116.467 -171.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -74.76 -15.95 60.75 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.857 0.863 . . . . 73.02 112.407 175.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.3 p 55.43 34.14 22.36 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 125.601 1.561 . . . . 74.11 113.261 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -103.52 -53.56 2.76 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 123.757 0.823 . . . . 63.02 112.023 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 42.4 ttm -163.96 -41.14 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.302 1.041 . . . . 65.0 110.539 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.636 ' HD2' ' HA ' ' A' ' 52' ' ' VAL . 38.6 ttmt -53.69 -43.1 68.67 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.292 0.637 . . . . 74.32 110.874 176.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.464 ' HA ' HG12 ' A' ' 52' ' ' VAL . 51.3 t80 -62.39 -33.71 75.29 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.19 0.996 . . . . 65.45 112.946 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 34.7 mmtp -72.71 -55.21 7.13 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 122.4 0.28 . . . . 40.53 111.473 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -70.19 -43.28 71.07 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.648 0.779 . . . . 72.14 111.936 -171.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.407 ' HG2' HG21 ' A' ' 52' ' ' VAL . 11.5 tpt180 -57.97 -46.07 85.73 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.471 0.708 . . . . 73.15 112.25 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.09 -45.58 98.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 C-N-CA 123.085 0.554 . . . . 73.03 111.076 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 9.6 mmm180 -57.32 -48.8 78.02 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.386 0.674 . . . . 70.23 112.291 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 t -67.55 -40.22 84.99 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.402 0.681 . . . . 62.14 111.83 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -47.7 74.28 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.594 0.757 . . . . 74.5 111.571 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.626 HG23 ' HB2' ' A' ' 23' ' ' ALA . 94.3 mt -57.28 -41.92 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 123.753 0.821 . . . . 73.31 111.087 173.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.9 t -60.77 -41.13 94.92 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 115.58 -0.736 . . . . 74.22 111.888 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -71.34 -29.92 65.56 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.45 0.7 . . . . 70.25 112.418 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.26 -31.37 72.55 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.982 0.513 . . . . 72.3 112.054 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -107.75 0.06 22.05 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.763 0.825 . . . . 62.21 112.052 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.18 146.64 31.67 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.074 0.55 . . . . 72.22 111.974 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.51 -16.91 61.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.402 0.89 . . . . 73.13 113.402 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -75.76 -25.79 56.82 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 117.869 0.304 . . . . 70.2 111.397 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -152.83 68.88 6.94 Favored Pre-proline 0 CA--C 1.568 1.668 0 C-N-CA 123.355 0.662 . . . . 73.04 112.063 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.97 -20.96 11.26 Favored 'Trans proline' 0 C--N 1.383 2.352 0 C-N-CA 122.549 2.166 . . . . 75.45 112.608 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.29 -17.86 61.84 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.794 0.838 . . . . 70.24 111.702 175.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.0 tp -53.96 -53.77 48.24 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.954 0.902 . . . . 64.24 111.345 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.6 ' HG2' HD23 ' A' ' 24' ' ' LEU . 1.8 tmm_? -61.58 -42.56 99.03 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.531 1.132 . . . . 65.23 112.106 176.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -61.73 -45.95 91.72 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.563 0.745 . . . . 64.44 111.559 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -65.48 -32.52 74.17 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.179 0.992 . . . . 74.42 112.754 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.85 -44.87 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-O 121.137 0.494 . . . . 64.44 110.508 174.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.492 HD23 HD12 ' A' ' 40' ' ' LEU . 76.3 mt -70.29 -32.01 69.6 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 115.276 -0.875 . . . . 75.34 111.829 177.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.9 m -81.22 -9.06 59.85 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.648 0.779 . . . . 71.51 112.137 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.8 -1.65 88.48 Favored Glycine 0 CA--C 1.539 1.577 0 N-CA-C 114.256 0.462 . . . . 64.31 114.256 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.47 -30.71 70.49 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.777 0.831 . . . . 71.21 111.694 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 68.5 mt -117.34 127.19 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.169 0.987 . . . . 60.22 108.56 169.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.3 p -75.41 151.82 85.48 Favored Pre-proline 0 N--CA 1.492 1.668 0 CA-C-O 119.547 -0.263 . . . . 74.51 110.938 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -49.41 -31.08 22.29 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 123.342 2.695 . . . . 63.52 114.522 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -74.18 -46.61 41.09 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 119.483 -0.294 . . . . 71.31 111.413 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -54.55 -55.16 32.09 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.278 0.631 . . . . 73.51 111.649 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.2 tp -63.38 -29.83 48.24 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.576 0 N-CA-C 112.746 0.647 . . . . 73.43 112.746 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.95 34.53 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 112.503 0.557 . . . . 75.45 112.503 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.4 m -83.6 -25.41 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 C-N-CA 123.293 0.637 . . . . 65.44 112.189 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 48.4 ttp -67.12 126.11 28.14 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.402 0.681 . . . . 70.13 111.663 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -84.29 170.18 13.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.903 0.481 . . . . 75.33 110.916 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -62.02 -30.64 71.1 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.743 0.817 . . . . 75.14 112.908 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.42 -52.01 67.4 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.09 0.556 . . . . 75.23 111.624 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.57 -43.4 80.71 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.723 0.809 . . . . 74.11 110.783 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.8 ttm -66.15 -26.05 67.25 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 114.253 -1.34 . . . . 73.42 112.257 -176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.11 8.75 14.55 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.727 0.811 . . . . 64.54 112.468 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.7 t -57.53 113.69 1.91 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.5 0.72 . . . . 63.43 112.705 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.62 -23.22 67.29 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.13 0.972 . . . . 75.34 112.367 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.43 -49.26 77.92 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.548 0.739 . . . . 64.53 110.799 170.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 69.4 mt -76.39 -21.17 56.37 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.141 0.793 . . . . 72.53 113.141 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -61.46 -40.74 95.6 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.507 0.723 . . . . 72.15 111.903 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -92.19 -9.31 42.78 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.114 0.566 . . . . 71.23 112.408 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 51.0 mm -97.72 103.99 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.117 0.567 . . . . 44.11 110.242 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -72.27 -46.94 53.72 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.321 0.581 . . . . 72.44 110.593 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -158.98 -37.78 0.06 Allowed 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.14 -0.936 . . . . 75.01 110.478 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.62 95.69 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.337 1.055 . . . . 54.34 112.913 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 84.6 mtp -87.81 65.71 8.48 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.721 0.808 . . . . 74.13 110.221 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 CA--C 1.57 1.748 0 C-N-CA 123.783 0.833 . . . . 64.14 111.266 -175.914 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 110.578 -0.156 . . . . 73.53 110.578 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -126.09 -65.23 1.0 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.084 0.954 . . . . 73.2 109.855 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 66.44 149.97 0.12 Allowed Pre-proline 0 N--CA 1.495 1.814 0 C-N-CA 124.748 1.219 . . . . 75.02 112.421 -176.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -50.96 136.53 44.23 Favored 'Trans proline' 0 C--N 1.382 2.298 0 C-N-CA 122.82 2.347 . . . . 70.5 113.705 177.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.533 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 8.4 p -52.96 133.73 48.84 Favored Pre-proline 0 CA--C 1.567 1.625 0 C-N-CA 124.057 0.943 . . . . 75.23 112.323 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.74 151.37 56.22 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 122.748 2.299 . . . . 71.42 113.25 176.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.6 m -94.48 150.07 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.784 0.834 . . . . 72.12 111.354 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.739 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . 5.5 t -75.6 -39.74 57.53 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.732 -0.667 . . . . 72.14 112.635 -177.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.8 m 63.71 -72.15 0.06 Allowed 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 125.301 1.441 . . . . 75.34 112.653 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -99.82 -72.16 0.67 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.4 0.68 . . . . 65.34 110.25 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.84 -25.09 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.036 0.754 . . . . 70.32 113.036 -174.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.04 -49.32 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 113.778 1.029 . . . . 70.1 113.778 -169.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.739 ' HB2' ' HA ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -71.56 -43.05 67.05 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 122.798 0.439 . . . . 73.12 111.05 -178.726 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -61.58 -32.54 72.65 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.858 0.463 . . . . 50.24 111.196 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.04 -51.64 63.2 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.871 0.868 . . . . 74.31 110.999 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -60.31 -39.8 88.25 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.347 0.659 . . . . 74.4 111.301 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -63.13 -45.69 90.78 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.475 1.11 . . . . 64.2 111.705 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -64.19 -40.15 95.5 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.845 0.858 . . . . 74.24 111.898 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.478 ' HB3' HD13 ' A' ' 67' ' ' ILE . 59.5 mtm -74.31 -42.01 60.2 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 122.92 0.488 . . . . 64.1 111.977 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.57 -41.91 98.08 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 122.813 0.445 . . . . 74.54 110.791 174.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 93.0 m -62.54 -40.46 96.88 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.262 0.625 . . . . 62.51 111.054 173.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.59 71.95 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.657 0.783 . . . . 75.22 112.137 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.725 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -61.06 -45.32 95.24 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.927 0.491 . . . . 51.41 110.547 170.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 79' ' ' ARG . 42.8 mt -75.24 -18.44 60.1 Favored 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 123.954 0.902 . . . . 73.21 112.28 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.536 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 27.5 mm-40 -86.89 -16.21 36.69 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.073 0.949 . . . . 73.11 113.042 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 23' ' ' ALA . 15.0 t -57.92 -33.18 68.51 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.679 0.622 . . . . 75.13 112.679 -173.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -132.47 157.31 44.95 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.856 0.862 . . . . 73.44 109.732 169.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -87.82 37.41 0.8 Allowed 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 112.843 0.683 . . . . 62.43 112.843 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.89 -40.29 92.5 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 120.964 0.412 . . . . 75.55 110.722 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -60.2 -32.21 70.89 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 115.446 -0.797 . . . . 72.53 112.474 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -74.33 -45.96 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 123.236 0.614 . . . . 74.13 110.61 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.4 94.08 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.243 1.017 . . . . 62.32 112.517 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.512 HG21 ' HA ' ' A' ' 84' ' ' CYS . 81.4 mt -80.55 -34.42 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 C-N-CA 123.925 0.89 . . . . 73.01 110.947 177.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.92 31.02 9.58 Favored Glycine 0 N--CA 1.476 1.339 0 CA-C-N 116.548 -0.296 . . . . 72.12 113.613 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 134.92 54.18 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.777 0.831 . . . . 73.05 111.043 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -76.27 99.88 4.92 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.264 0.554 . . . . 65.12 109.923 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.536 ' SG ' ' NE2' ' A' ' 25' ' ' GLN . 24.5 p -65.49 -23.7 66.97 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.596 0.758 . . . . 74.23 112.987 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.3 -40.72 74.07 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.335 0.654 . . . . 74.42 112.198 -171.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.34 -29.06 42.1 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 117.469 0.122 . . . . 75.23 110.731 176.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 44' ' ' ILE . 95.0 mt -59.07 -41.03 86.99 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.253 0.621 . . . . 64.44 110.953 173.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.7 t -60.58 -42.8 97.43 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.615 1.166 . . . . 65.14 112.461 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.88 -32.15 73.5 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.08 0.552 . . . . 51.15 111.484 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -73.31 -31.84 64.26 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.528 0.731 . . . . 73.31 112.024 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 40' ' ' LEU . 78.4 mt -63.46 -40.7 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 109.246 -0.65 . . . . 65.22 109.246 169.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 48' ' ' ILE . 34.6 tt0 -61.96 -39.63 92.78 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.869 -0.605 . . . . 72.03 111.509 176.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.533 ' HG2' ' HA ' ' A' ' 5' ' ' VAL . 95.1 mt-10 -51.52 -42.97 62.14 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.077 0.551 . . . . 70.53 111.648 175.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.8 -50.38 12.45 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.507 -0.769 . . . . 65.31 112.665 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.487 HG22 ' HA ' ' A' ' 45' ' ' GLU . 13.8 tt -77.52 -26.58 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 123.008 0.523 . . . . 72.54 112.39 -170.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -68.93 -26.65 65.18 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.42 0.688 . . . . 73.03 111.635 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -65.18 -43.97 89.98 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 120.832 0.349 . . . . 75.53 110.973 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -85.71 -54.54 4.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.801 0.84 . . . . 72.22 112.144 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.54 HG13 ' HD3' ' A' ' 58' ' ' LYS . 2.5 t -99.56 -14.42 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 124.221 1.008 . . . . 70.32 112.672 -169.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.1 27.79 1.43 Allowed Glycine 0 N--CA 1.48 1.629 0 N-CA-C 116.555 1.382 . . . . 52.02 116.555 -169.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -78.54 5.94 9.75 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 124.353 1.061 . . . . 74.51 112.224 170.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.2 p 66.54 13.74 9.42 Favored 'General case' 0 N--CA 1.503 2.184 0 C-N-CA 126.209 1.804 . . . . 64.01 114.23 171.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -70.67 170.86 11.44 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.436 0.694 . . . . 64.23 110.436 172.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.9 mmt -57.18 -25.96 59.85 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.587 0.755 . . . . 70.44 112.496 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HD3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -59.11 -36.75 75.71 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.429 0.692 . . . . 65.52 112.003 172.489 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -70.99 -37.4 72.7 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.705 0.802 . . . . 64.43 111.559 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -40.13 62.91 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 122.912 0.485 . . . . 63.33 111.323 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -74.28 -50.81 17.35 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.96 0.904 . . . . 74.11 112.493 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -64.72 -34.86 79.32 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.026 0.531 . . . . 72.3 111.789 -175.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.7 t -67.43 -55.07 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 C-N-CA 122.916 0.486 . . . . 61.2 110.925 174.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.661 ' HA ' HD12 ' A' ' 67' ' ' ILE . 7.5 ptp180 -63.75 -33.23 75.19 Favored 'General case' 0 N--CA 1.502 2.147 0 N-CA-C 112.836 0.68 . . . . 74.22 112.836 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.7 t -67.4 -36.57 81.55 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.356 0.662 . . . . 71.45 111.102 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -73.59 -36.21 65.51 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.031 -0.986 . . . . 73.14 110.962 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.725 HG23 ' HB2' ' A' ' 23' ' ' ALA . 83.9 mt -60.24 -45.12 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 125.06 1.344 . . . . 73.54 111.358 171.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.6 t -60.03 -40.62 89.97 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.453 -0.794 . . . . 53.15 110.663 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.78 -36.54 84.65 Favored 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.842 1.257 . . . . 53.25 112.688 175.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.38 -38.83 88.42 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.192 0.597 . . . . 75.55 112.01 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -98.05 8.38 44.86 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.491 0.716 . . . . 62.31 112.129 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -69.19 150.99 46.88 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.509 0.723 . . . . 60.31 112.134 -172.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.7 -24.82 56.28 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.622 0.769 . . . . 74.34 113.008 -175.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -69.73 -42.3 74.14 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.885 0.474 . . . . 75.1 111.465 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.522 ' ND2' ' HB3' ' A' ' 103' ' ' ASP . 59.2 t30 -155.38 89.91 2.96 Favored Pre-proline 0 CA--C 1.561 1.376 0 C-N-CA 122.638 0.375 . . . . 71.13 111.549 176.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -86.45 -7.16 7.83 Favored 'Trans proline' 0 CA--C 1.561 1.842 0 C-N-CA 123.05 2.5 . . . . 63.23 112.636 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.93 -22.15 59.78 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.153 0.981 . . . . 72.53 111.387 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 tp -51.46 -51.67 53.01 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.818 1.247 . . . . 75.34 111.17 168.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.451 ' HG3' HD23 ' A' ' 24' ' ' LEU . 36.0 ttp85 -60.47 -41.91 95.14 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.011 -1.45 . . . . 63.02 111.753 177.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -65.57 -32.93 74.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.939 0.496 . . . . 63.54 111.784 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -65.4 -35.43 80.92 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.935 0.494 . . . . 62.53 111.198 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.51 -42.06 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 123.034 0.534 . . . . 71.31 110.415 173.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.6 mt -70.19 -23.11 62.9 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.098 0.959 . . . . 75.41 112.281 178.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.512 ' HA ' HG21 ' A' ' 33' ' ' ILE . 54.0 t -86.02 -13.29 47.94 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.729 0.811 . . . . 75.44 111.609 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.19 9.42 86.08 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-O 120.091 -0.283 . . . . 65.42 113.652 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.33 -43.93 66.06 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.751 0.82 . . . . 72.43 110.522 174.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 59.6 mt -103.56 125.85 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.66 0.784 . . . . 74.2 109.052 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.3 p -83.43 154.74 66.16 Favored Pre-proline 0 N--CA 1.486 1.351 0 C-N-CA 122.834 0.454 . . . . 64.3 110.831 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.12 -35.21 18.94 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 123.657 2.905 . . . . 61.11 115.457 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -33.2 57.91 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 112.184 0.438 . . . . 75.14 112.184 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 95' ' ' MET . 46.4 mt-30 -64.87 -57.27 9.27 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 122.538 0.335 . . . . 74.31 110.875 174.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.9 tp -60.92 -18.02 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 123.044 0.538 . . . . 72.41 112.355 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.11 -36.84 34.77 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 123.559 0.743 . . . . 52.5 112.536 174.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m -92.81 -15.48 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 113.38 0.882 . . . . 53.35 113.38 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 91' ' ' GLN . 92.9 mtp -64.78 138.54 58.44 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 122.966 0.506 . . . . 61.43 112.059 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.5 p -79.16 167.6 20.78 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.621 0.368 . . . . 64.24 110.68 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 50.0 m -59.47 -29.76 68.04 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 122.844 0.458 . . . . 60.32 111.263 174.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.06 -51.58 67.41 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.352 1.061 . . . . 71.12 110.48 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -68.22 -36.76 80.02 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.096 0.959 . . . . 72.54 112.889 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.8 mtm -71.88 -31.42 66.41 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.242 0.617 . . . . 73.51 111.703 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.29 -31.15 30.16 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.977 0.511 . . . . 44.31 111.48 173.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.9 m -96.42 17.66 15.6 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.531 0.733 . . . . 74.3 111.602 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.522 ' HB3' ' ND2' ' A' ' 75' ' ' ASN . 3.7 t70 -50.0 -41.15 46.55 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.964 1.306 . . . . 74.53 112.706 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -69.35 -41.02 77.15 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.06 -0.518 . . . . 63.42 109.992 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.0 -15.36 62.56 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.575 0.954 . . . . 74.12 113.575 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -60.13 -41.28 92.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.79 0.436 . . . . 74.25 110.396 174.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -90.21 -47.91 7.49 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.784 0.834 . . . . 72.11 110.498 173.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' ' 111' ' ' ALA . 31.8 mm -89.81 67.91 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 122.274 1.035 . . . . 61.01 110.752 -173.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -105.42 -19.57 13.75 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 115.166 -0.924 . . . . 74.52 109.097 168.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -104.3 -67.2 0.91 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.41 1.084 . . . . 73.24 110.953 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 108' ' ' ILE . . . 54.77 80.98 0.11 Allowed 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.85 1.26 . . . . 62.02 111.937 -174.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 24.1 ptp -149.01 8.34 0.74 Allowed 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 112.253 0.464 . . . . 74.32 112.253 -177.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 49.9 m . . . . . 0 CA--C 1.561 1.372 0 C-N-CA 123.319 0.648 . . . . 61.2 110.303 177.795 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 110.447 -0.205 . . . . 75.5 110.447 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -135.05 131.11 36.62 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.491 0.716 . . . . 64.21 110.501 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 82.0 mtp -74.28 136.28 75.62 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.147 0.579 . . . . 74.42 111.548 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -82.12 -165.95 0.36 Allowed 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.771 2.314 . . . . 73.13 111.87 169.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.462 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 62.3 t -54.49 115.76 9.3 Favored Pre-proline 0 CA--C 1.565 1.548 0 C-N-CA 123.527 0.731 . . . . 55.14 110.996 178.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 5' ' ' VAL . 4.3 Cg_exo -74.46 176.15 10.08 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.208 2.605 . . . . 45.14 114.181 -166.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.9 m -78.22 146.04 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.067 0 CA-C-N 114.953 -1.022 . . . . 72.21 111.896 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.7 p -96.93 110.55 23.04 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.634 0.774 . . . . 73.43 111.083 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.9 t -70.56 -52.1 23.94 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 109.166 -0.679 . . . . 42.32 109.166 169.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -125.76 -174.18 3.02 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.131 0.972 . . . . 71.2 109.813 171.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.1 -18.9 65.69 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 112.31 0.485 . . . . 64.15 112.31 175.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -49.33 -44.15 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 124.924 1.29 . . . . 75.1 113.465 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -54.86 13.18 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 122.749 0.42 . . . . 65.44 110.83 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 29.2 t-20 -61.98 -33.7 74.8 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 123.534 0.733 . . . . 74.21 111.954 -177.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -60.28 -33.3 72.15 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.976 0.91 . . . . 75.33 111.306 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' A' ' 63' ' ' VAL . 62.8 m -62.7 -48.51 78.98 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.066 0.854 . . . . 75.44 111.354 175.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -54.88 -50.49 68.59 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.413 0.685 . . . . 74.31 110.471 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 14' ' ' ASN . 17.1 mm-40 -61.89 -47.63 84.12 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 115.584 -0.735 . . . . 63.32 112.423 -175.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.561 ' SD ' HD11 ' A' ' 67' ' ' ILE . 23.2 ptp -72.33 -31.9 66.05 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.045 0.538 . . . . 64.13 112.222 -176.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 91.1 mt -68.48 -41.04 80.68 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.589 0.356 . . . . 75.01 110.665 173.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.416 HG22 HE21 ' A' ' 25' ' ' GLN . 54.2 m -59.67 -38.4 81.41 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.35 0.66 . . . . 64.11 111.236 175.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.23 97.93 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.343 0.657 . . . . 71.41 111.503 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -66.7 -28.6 68.57 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.482 0.713 . . . . 70.41 111.997 174.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 20' ' ' LEU . 80.2 mt -83.92 -8.46 59.17 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.527 0.731 . . . . 65.25 112.731 177.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.416 HE21 HG22 ' A' ' 21' ' ' THR . 43.4 mt-30 -118.43 17.29 13.8 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.733 0.813 . . . . 75.11 111.443 177.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 t -60.06 -49.38 77.9 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.581 0.956 . . . . 73.12 113.581 -172.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -130.38 28.98 4.91 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 122.908 0.483 . . . . 73.05 111.837 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.4 m80 58.61 26.99 15.13 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.771 0.828 . . . . 74.14 111.124 -174.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -57.1 -47.25 81.52 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.189 1.796 . . . . 64.51 112.514 -177.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -64.8 -33.37 75.82 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.445 0.698 . . . . 72.31 112.191 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.92 -39.94 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 C-N-CA 123.322 0.649 . . . . 75.22 110.871 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.97 70.93 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.106 0.962 . . . . 74.04 112.429 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.43 HD13 ' SG ' ' A' ' 84' ' ' CYS . 64.2 mt -95.34 -22.33 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 123.755 0.822 . . . . 55.22 111.462 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.75 14.87 62.41 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 122.708 0.194 . . . . 55.15 113.438 -175.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.05 139.29 34.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.98 0.912 . . . . 72.34 111.948 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.545 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . 6.0 m-20 -87.66 112.06 21.94 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.466 0.706 . . . . 64.33 110.721 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.2 p -72.52 -45.82 57.51 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.367 1.247 . . . . 73.25 114.367 -168.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -59.17 -35.77 74.13 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 123.767 0.827 . . . . 72.41 113.203 -168.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.545 ' HD3' ' HB2' ' A' ' 36' ' ' ASP . 4.8 ptm180 -74.74 -37.08 62.61 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.403 -0.817 . . . . 64.04 112.17 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 64.4 mt -63.25 -43.16 98.79 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 122.735 0.414 . . . . 74.52 111.571 -177.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.9 p -60.81 -38.95 87.13 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.07 0.948 . . . . 75.14 112.016 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.79 82.14 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.622 0.769 . . . . 51.44 112.084 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 73.3 mt-30 -68.05 -31.4 71.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.242 0.617 . . . . 71.3 111.456 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 40' ' ' LEU . 80.3 mt -67.02 -49.43 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 123.339 0.656 . . . . 63.12 110.161 171.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.0 -50.96 72.1 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.728 1.211 . . . . 71.25 112.943 -173.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.73 -34.74 74.87 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.945 0.72 . . . . 71.32 112.945 -177.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.1 t -70.33 -46.71 63.65 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.461 0.704 . . . . 73.5 111.588 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 tt -82.14 -31.19 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.53 0 N-CA-C 113.157 0.799 . . . . 75.12 113.157 -172.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -65.31 -29.11 69.82 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 123.326 0.65 . . . . 71.23 112.536 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -59.46 -42.88 93.02 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 122.904 0.481 . . . . 74.41 111.785 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.78 -45.76 9.52 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.675 0.79 . . . . 74.04 112.064 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.746 HG13 ' HD2' ' A' ' 58' ' ' LYS . 17.5 t -95.66 -13.25 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 124.171 0.988 . . . . 61.13 112.902 -168.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.25 11.09 2.25 Favored Glycine 0 CA--C 1.54 1.608 0 N-CA-C 116.962 1.545 . . . . 72.12 116.962 -169.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -65.32 -21.28 66.69 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 117.697 0.748 . . . . 73.42 111.55 166.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.433 ' HA ' ' HB3' ' A' ' 59' ' ' TYR . 30.7 p 66.01 12.07 8.18 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 126.639 1.975 . . . . 71.42 114.832 171.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -74.08 78.89 1.73 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.021 0.528 . . . . 62.12 111.712 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.9 tpt 70.67 -60.0 0.51 Allowed 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 126.008 1.723 . . . . 73.33 113.639 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.746 ' HD2' HG13 ' A' ' 52' ' ' VAL . 10.3 ttmm -50.32 -44.53 54.24 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.943 1.297 . . . . 74.03 113.405 -173.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.433 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 81.6 t80 -58.51 -48.83 79.53 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 112.802 0.667 . . . . 70.21 112.802 -175.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -64.15 -49.84 70.55 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 122.926 0.141 . . . . 73.23 110.929 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -60.2 -37.74 81.18 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.464 0.706 . . . . 73.32 111.975 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -64.39 -47.06 80.65 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.135 0.974 . . . . 73.53 111.391 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.481 HG21 ' SG ' ' A' ' 16' ' ' CYS . 96.7 t -63.87 -38.8 83.3 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 C-N-CA 122.612 0.365 . . . . 55.31 110.912 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -59.23 -42.88 92.11 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.433 0.693 . . . . 74.44 111.101 172.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.9 m -67.29 -36.51 81.7 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.334 0.654 . . . . 61.24 111.802 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.528 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 25.2 mmt180 -59.11 -53.39 58.87 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.514 0.726 . . . . 74.32 110.45 176.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.561 HD11 ' SD ' ' A' ' 19' ' ' MET . 71.4 mt -56.19 -42.31 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 C-N-CA 123.904 0.881 . . . . 64.11 111.762 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 39.1 t -55.3 -51.48 66.57 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.816 0.846 . . . . 70.42 112.153 -176.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.57 ' HB2' HD21 ' A' ' 75' ' ' ASN . 2.4 p-10 -71.54 -26.67 62.74 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 112.441 0.534 . . . . 74.24 112.441 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 66' ' ' ARG . 94.3 mt -63.12 -39.12 93.77 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 122.882 0.473 . . . . 72.24 111.845 177.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -103.24 3.59 35.73 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.5 0.72 . . . . 75.32 112.713 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 68' ' ' SER . 4.1 t70 -82.08 146.98 29.36 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.044 0.45 . . . . 74.41 111.873 -174.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -18.48 45.51 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.94 0.896 . . . . 62.31 112.924 -176.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -70.25 -35.63 73.93 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.333 0.653 . . . . 73.43 111.738 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.57 HD21 ' HB2' ' A' ' 69' ' ' ASN . 19.0 p-10 -137.63 68.77 52.61 Favored Pre-proline 0 CA--C 1.57 1.724 0 C-N-CA 123.456 0.702 . . . . 72.22 112.468 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.95 -22.41 8.75 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.541 2.161 . . . . 53.5 112.522 173.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -63.53 -31.33 72.46 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.205 1.402 . . . . 75.51 111.944 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 56.9 tp -54.79 -57.08 12.97 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 124.011 0.924 . . . . 74.34 112.574 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.415 ' HD2' HD22 ' A' ' 24' ' ' LEU . 9.5 tpp180 -74.11 -34.11 63.82 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.551 0.34 . . . . 64.1 111.464 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -53.92 -43.75 70.0 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.859 0.464 . . . . 75.1 111.127 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -67.0 -34.57 78.02 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 123.851 0.86 . . . . 74.41 112.18 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.63 -47.57 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 CA-C-O 120.975 0.417 . . . . 61.3 110.975 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.11 -32.85 71.38 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.246 1.019 . . . . 52.02 112.32 175.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.43 ' SG ' HD13 ' A' ' 33' ' ' ILE . 98.0 m -80.12 -13.44 59.27 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.245 0.618 . . . . 71.34 112.312 176.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.53 3.87 74.18 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 119.7 -0.5 . . . . 62.15 114.195 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.16 74.86 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.467 0.707 . . . . 64.01 110.545 175.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 66.7 mt -107.57 137.87 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 123.849 0.859 . . . . 74.43 109.003 173.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.4 p -86.88 152.52 53.84 Favored Pre-proline 0 N--CA 1.487 1.395 0 O-C-N 122.177 -0.327 . . . . 73.32 111.176 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -56.08 -22.74 40.84 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 122.832 2.354 . . . . 61.13 114.117 169.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -69.16 -45.39 70.14 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.291 0.636 . . . . 65.53 110.717 174.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -56.26 -56.62 18.72 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.633 0.773 . . . . 74.2 111.513 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.409 HG21 HH22 ' A' ' 79' ' ' ARG . 9.8 tp -63.35 -20.46 26.13 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 C-N-CA 123.525 0.73 . . . . 70.34 112.314 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.29 -33.68 59.09 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.399 0.68 . . . . 62.25 112.498 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.2 m -105.53 -15.5 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 113.343 0.868 . . . . 72.31 113.343 -175.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.496 ' HE3' ' HG2' ' A' ' 100' ' ' MET . 31.5 ttp -76.8 137.18 39.09 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.566 0.746 . . . . 63.45 112.676 -173.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.4 t -75.63 165.73 24.63 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.616 0.766 . . . . 72.53 111.738 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.3 p -64.74 -30.24 71.25 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 114.071 1.137 . . . . 74.12 114.071 -171.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.55 -48.94 73.17 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.759 0.79 . . . . 75.34 110.445 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -78.0 -23.04 48.46 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 114.821 -1.081 . . . . 74.21 112.106 -178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.496 ' HG2' ' HE3' ' A' ' 95' ' ' MET . 68.2 mtm -68.5 -41.03 80.62 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 110.042 -0.355 . . . . 61.03 110.042 169.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.53 70.97 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.988 0.515 . . . . 72.51 111.493 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.3 m 62.52 46.65 5.48 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.427 1.091 . . . . 75.4 111.855 173.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.29 -36.49 68.7 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.123 0.969 . . . . 71.04 113.285 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -59.75 -45.86 90.93 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.751 0.421 . . . . 74.51 110.845 173.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.52 -3.93 23.95 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.839 0.856 . . . . 52.51 113.21 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -84.19 -36.41 22.83 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.818 0.447 . . . . 62.42 110.347 170.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -75.99 -46.12 31.17 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.807 0.843 . . . . 41.15 110.921 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.4 mm -72.81 -22.98 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 C-N-CA 124.313 1.045 . . . . 62.03 111.328 176.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 66.31 179.09 0.21 Allowed 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 124.818 1.247 . . . . 74.21 109.965 -174.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.45 91.51 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.246 0 O-C-N 121.411 -0.805 . . . . 72.32 110.821 171.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -101.26 -166.54 1.32 Allowed 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 123.88 0.872 . . . . 63.23 110.855 178.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -140.02 148.18 41.46 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.892 0.877 . . . . 70.04 110.337 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.495 1.786 0 C-N-CA 125.211 1.404 . . . . 74.23 111.681 -178.595 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 111.955 0.354 . . . . 64.23 111.955 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -73.86 -22.96 59.57 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 113.251 0.834 . . . . 73.24 113.251 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.6 ptp -64.41 153.35 86.75 Favored Pre-proline 0 N--CA 1.484 1.263 0 C-N-CA 122.589 0.355 . . . . 61.42 111.129 174.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.85 142.39 33.16 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.794 2.33 . . . . 62.35 113.32 174.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.6 m -61.77 157.67 47.53 Favored Pre-proline 0 CA--C 1.562 1.435 0 C-N-CA 123.862 0.865 . . . . 71.13 111.935 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -58.14 159.21 19.28 Favored 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.061 1.841 . . . . 73.03 113.186 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.9 m -126.4 165.61 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.794 0.838 . . . . 74.14 112.192 -167.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -59.06 101.77 0.1 Allowed 'General case' 0 CA--C 1.556 1.175 0 CA-C-N 115.058 -0.974 . . . . 73.32 112.525 172.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.9 m -92.98 133.74 35.83 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.484 0.714 . . . . 63.01 109.884 172.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 64.85 175.33 0.2 Allowed 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 124.333 1.053 . . . . 71.11 112.688 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.95 -16.77 62.68 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.942 0.497 . . . . 63.21 112.208 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.08 -60.56 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 123.513 0.725 . . . . 73.03 111.052 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -31.88 70.34 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.064 -0.516 . . . . 73.21 111.153 177.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -59.18 -33.05 70.48 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 120.729 0.3 . . . . 72.53 110.7 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -78.91 -35.91 42.74 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 123.208 0.603 . . . . 74.01 111.561 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.2 m -62.6 -53.93 47.19 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 123.621 0.768 . . . . 54.35 112.37 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 ptt85 -55.07 -40.83 70.76 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 112.267 0.469 . . . . 62.44 112.267 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.93 -34.86 69.4 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.876 1.065 . . . . 70.25 113.876 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.786 ' SD ' HD11 ' A' ' 67' ' ' ILE . 23.8 ptp -72.83 -29.46 63.25 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 120.76 0.314 . . . . 73.42 111.022 176.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.18 -41.14 67.34 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.374 0.67 . . . . 70.1 111.061 172.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.545 HG22 HE21 ' A' ' 25' ' ' GLN . 25.7 m -62.99 -38.18 90.13 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.546 0.738 . . . . 54.44 110.425 173.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.524 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -61.56 -39.44 91.14 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.086 0.954 . . . . 73.12 111.632 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.59 74.27 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.391 0.676 . . . . 72.22 112.61 174.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.92 -11.28 51.13 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 113.396 0.887 . . . . 73.43 113.396 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.545 HE21 HG22 ' A' ' 21' ' ' THR . 9.9 pt20 -116.79 5.36 13.07 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 123.398 0.679 . . . . 72.43 111.788 178.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -55.55 -39.34 70.47 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.089 0.955 . . . . 73.2 113.272 -170.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -124.01 20.48 9.11 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 123.686 0.794 . . . . 63.41 109.992 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.5 m80 63.26 38.51 10.33 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 124.837 1.255 . . . . 71.21 111.045 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.08 -47.48 79.92 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.778 1.231 . . . . 44.35 111.569 -173.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -62.51 -29.36 70.49 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.077 -0.965 . . . . 75.15 111.789 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.9 t -70.35 -42.59 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 123.152 0.581 . . . . 62.15 110.57 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.44 79.74 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.752 0.821 . . . . 43.22 112.091 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.9 mt -88.05 -25.56 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 123.791 0.837 . . . . 63.13 111.635 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.86 28.48 37.93 Favored Glycine 0 CA--C 1.536 1.389 0 CA-C-N 116.294 -0.412 . . . . 52.21 113.732 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.16 138.35 36.38 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.142 0.977 . . . . 64.33 111.416 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -80.09 98.39 7.25 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.643 0.377 . . . . 53.22 110.373 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -67.35 -23.29 65.59 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.107 1.151 . . . . 65.52 114.107 -173.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -70.64 -41.9 71.56 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.275 0.63 . . . . 74.01 111.751 -173.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -73.41 -34.04 65.28 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.116 0.566 . . . . 74.4 111.443 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.61 -48.89 70.72 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.876 0.47 . . . . 74.42 111.276 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.5 p -58.89 -37.31 76.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.322 1.049 . . . . 72.53 112.089 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.49 -31.96 72.78 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.081 0.953 . . . . 60.41 112.161 173.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -78.1 -30.29 49.45 Favored 'General case' 0 CA--C 1.563 1.442 0 C-N-CA 123.285 0.634 . . . . 74.14 112.241 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' A' ' 89' ' ' PRO . 3.6 mp -65.52 -43.46 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 N-CA-C 108.952 -0.759 . . . . 63.2 108.952 166.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -59.77 -51.54 69.33 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.244 -0.889 . . . . 75.52 112.127 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -64.36 -32.63 74.32 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.673 0.389 . . . . 74.1 111.828 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.5 t -67.12 -49.16 65.86 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.349 0.66 . . . . 74.11 111.827 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.6 tt -72.14 -24.02 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.537 0 C-N-CA 122.769 0.427 . . . . 55.53 111.017 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.84 -37.55 67.39 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.681 0.792 . . . . 72.14 111.682 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -64.95 -42.29 94.75 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.25 0.62 . . . . 74.23 112.573 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -91.65 -54.06 4.04 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.589 0.709 . . . . 71.31 112.318 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -103.69 -9.41 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 C-N-CA 124.217 1.007 . . . . 74.44 112.988 -166.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.94 14.15 0.14 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 117.809 1.884 . . . . 52.22 117.809 -171.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -64.81 -12.2 45.35 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.792 0.837 . . . . 64.43 112.365 163.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p 61.99 34.86 16.42 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 125.729 1.611 . . . . 71.53 113.294 173.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.87 -169.0 2.36 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-N 115.806 -0.634 . . . . 73.1 110.781 178.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -56.85 -44.48 82.18 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.195 0.998 . . . . 55.52 112.828 -171.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -64.24 -35.9 82.33 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.24 0.616 . . . . 74.44 112.198 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -62.31 -48.37 80.14 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.519 0.728 . . . . 63.1 110.828 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.9 mmtp -55.12 -47.46 74.99 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.288 0.992 . . . . 55.54 111.404 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -61.53 -47.78 84.04 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.542 0.737 . . . . 71.21 111.585 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -60.86 -37.12 81.02 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.722 0.809 . . . . 72.35 112.189 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.4 t -69.08 -46.57 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 122.988 0.515 . . . . 54.5 111.038 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 39.7 mtm180 -61.26 -40.55 94.5 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 122.587 0.355 . . . . 71.25 111.626 179.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.3 t -67.85 -36.1 79.73 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.486 0.715 . . . . 73.4 111.161 175.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.53 ' HE ' ' HG ' ' A' ' 70' ' ' LEU . 6.6 tpm_? -65.61 -43.42 89.65 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.797 0.439 . . . . 75.11 110.976 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.786 HD11 ' SD ' ' A' ' 19' ' ' MET . 53.8 mt -58.13 -57.42 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 123.418 0.687 . . . . 73.43 110.627 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.2 p -58.37 -42.74 87.66 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.136 0.974 . . . . 71.15 112.208 -174.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.468 ' O ' HD23 ' A' ' 78' ' ' LEU . 15.1 m120 -75.2 -26.99 59.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.134 0.573 . . . . 74.03 112.509 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.53 ' HG ' ' HE ' ' A' ' 66' ' ' ARG . 55.7 mt -66.39 -62.7 1.33 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.745 -0.465 . . . . 73.22 109.745 170.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 67' ' ' ILE . 18.7 ptpt -75.91 15.86 0.48 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 113.357 0.873 . . . . 71.32 113.357 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.69 135.99 56.47 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.263 1.025 . . . . 64.31 112.44 -175.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.85 -29.91 32.32 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.39 -0.823 . . . . 61.15 111.945 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -74.88 -27.18 60.14 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 122.947 0.499 . . . . 61.52 111.49 -175.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -136.3 85.1 27.61 Favored Pre-proline 0 CA--C 1.564 1.481 0 C-N-CA 123.778 0.831 . . . . 73.43 109.118 172.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -71.39 -25.82 21.16 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.708 2.272 . . . . 70.23 111.569 173.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.495 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 16.0 m-20 -66.88 -20.43 65.92 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.16 0.984 . . . . 73.23 112.436 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 69' ' ' ASN . 41.5 tp -63.35 -56.33 17.24 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.021 0.528 . . . . 41.11 111.959 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -71.57 -32.91 68.6 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.368 0.267 . . . . 65.11 110.615 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.495 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 78.4 ttt180 -56.67 -38.68 72.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.596 1.158 . . . . 72.33 111.744 176.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.66 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 92.8 m-20 -73.82 -31.39 63.21 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.677 0.791 . . . . 40.14 112.278 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.5 t -71.3 -39.16 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.314 0.578 . . . . 74.15 110.52 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.41 -33.44 60.96 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.234 1.013 . . . . 63.11 111.936 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.66 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 20.0 p -81.93 -17.25 47.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 122.014 -0.429 . . . . 62.13 111.204 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.39 14.57 55.5 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 114.574 0.589 . . . . 51.25 114.574 177.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.27 -55.15 13.16 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 117.713 0.757 . . . . 74.3 110.72 173.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.2 mp -97.28 131.01 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 N-CA-C 108.61 -0.885 . . . . 74.1 108.61 169.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.1 p -80.16 148.0 66.4 Favored Pre-proline 0 N--CA 1.484 1.234 0 C-N-CA 122.559 0.343 . . . . 71.43 111.02 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.478 ' HB3' HD12 ' A' ' 44' ' ' ILE . 90.5 Cg_exo -49.33 -36.05 36.86 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 123.705 2.937 . . . . 45.03 115.812 176.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -37.07 82.17 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.459 0.304 . . . . 61.12 111.568 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 95' ' ' MET . 29.5 mt-30 -67.21 -56.45 9.84 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.967 0.507 . . . . 65.53 111.252 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.37 -27.5 33.2 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.571 0 C-N-CA 123.009 0.524 . . . . 64.11 112.147 -176.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.25 -36.32 74.39 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 123.48 0.712 . . . . 40.34 112.446 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.1 m -95.77 -4.88 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 112.669 0.618 . . . . 71.3 112.669 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 91' ' ' GLN . 94.5 mtp -75.42 127.5 33.25 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 122.79 0.436 . . . . 73.04 111.94 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 98' ' ' GLU . 89.1 m -68.04 159.48 30.73 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.596 1.159 . . . . 41.31 110.568 173.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.6 p -52.67 -40.1 62.54 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.904 0.882 . . . . 75.14 111.654 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.488 ' H ' HG22 ' A' ' 96' ' ' THR . 24.3 tt0 -63.9 -40.44 96.51 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.233 0.613 . . . . 73.52 111.989 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.471 ' HG2' ' HB ' ' A' ' 96' ' ' THR . 15.9 mm-40 -59.42 -39.68 84.28 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.461 0.648 . . . . 63.43 111.06 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.438 ' SD ' HD21 ' A' ' 78' ' ' LEU . 76.4 mtm -82.08 -24.94 34.94 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 124.413 1.085 . . . . 73.1 112.806 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.83 11.9 27.73 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.168 0.987 . . . . 34.13 111.404 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.7 t -54.46 120.12 6.18 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.266 1.026 . . . . 71.24 112.731 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -62.78 -22.15 66.38 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.908 0.883 . . . . 71.43 112.311 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -76.28 -51.97 10.94 Favored 'General case' 0 CA--C 1.564 1.486 0 C-N-CA 123.29 0.636 . . . . 73.44 109.316 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.5 mt -71.19 -31.41 67.6 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 114.771 1.397 . . . . 65.23 114.771 -173.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.38 -24.46 66.49 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 113.284 0.846 . . . . 72.3 113.284 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -101.35 -13.25 18.09 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.27 0.628 . . . . 75.11 111.795 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 40.4 mm -76.78 -63.5 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 N-CA-C 109.286 -0.635 . . . . 63.51 109.286 167.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? 58.65 41.01 22.79 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 124.144 0.978 . . . . 73.45 109.884 168.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? 63.47 77.74 0.31 Allowed 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 125.15 1.38 . . . . 70.42 110.84 -167.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.9 36.4 0.76 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.629 0.771 . . . . 63.11 112.417 -176.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.2 tpt -92.61 10.12 31.83 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 123.989 0.916 . . . . 64.24 109.826 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 CA--C 1.565 1.541 0 C-N-CA 124.278 1.031 . . . . 73.2 112.238 -176.375 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 110.948 -0.019 . . . . 71.12 110.948 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -139.49 55.41 1.68 Allowed 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.921 0.867 . . . . 71.23 109.498 177.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -79.33 137.0 56.16 Favored Pre-proline 0 CA--C 1.554 1.099 0 CA-C-N 115.362 -0.835 . . . . 74.04 109.653 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -59.27 116.03 2.99 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.386 2.057 . . . . 63.31 111.679 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 m -59.71 139.07 89.93 Favored Pre-proline 0 CA--C 1.564 1.504 0 C-N-CA 123.037 0.535 . . . . 52.22 111.47 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.9 162.75 33.69 Favored 'Trans proline' 0 C--N 1.369 1.606 0 C-N-CA 123.387 2.724 . . . . 74.44 115.114 -167.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.11 150.96 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-N 114.817 -1.083 . . . . 52.32 111.264 173.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.8 p -71.58 119.04 15.17 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.949 0.5 . . . . 73.12 111.174 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.0 m -75.88 163.07 27.58 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.551 0.34 . . . . 72.43 110.507 172.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.62 87.51 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.881 0.872 . . . . 52.42 112.203 -172.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 73.84 -47.37 0.65 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 126.544 1.938 . . . . 72.33 114.327 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.3 t -58.31 -62.66 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 113.631 0.974 . . . . 72.22 113.631 -171.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -70.43 -30.42 67.27 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.322 0.249 . . . . 64.14 111.666 -172.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.9 -44.98 79.4 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.786 0.435 . . . . 62.24 110.267 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -61.31 -47.32 86.47 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.183 0.593 . . . . 74.33 111.25 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 85.9 m -59.43 -39.94 85.16 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.69 0.796 . . . . 34.2 111.763 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -63.09 -47.85 81.12 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.927 0.891 . . . . 73.21 110.156 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.26 -45.73 79.97 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.994 0.918 . . . . 53.42 111.486 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.428 ' HB3' HD13 ' A' ' 67' ' ' ILE . 59.1 mtm -74.27 -27.56 60.8 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.777 0.831 . . . . 62.05 113.233 -176.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 16' ' ' CYS . 82.0 mt -65.0 -45.44 85.59 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 118.031 0.378 . . . . 72.44 110.573 172.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -68.0 -34.37 76.38 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 115.742 -0.663 . . . . 71.33 110.879 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.05 -31.67 69.41 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.799 0.84 . . . . 65.14 111.791 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.586 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -66.29 -26.0 67.12 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.786 0.834 . . . . 55.12 111.082 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.413 HD21 ' CZ ' ' A' ' 79' ' ' ARG . 66.5 mt -78.83 -36.05 43.09 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.601 0.761 . . . . 63.53 111.008 171.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -88.44 16.87 5.84 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.236 1.014 . . . . 74.4 112.447 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 t -63.75 -32.58 74.12 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.514 0.726 . . . . 74.23 111.478 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -154.01 169.79 22.65 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.092 0.957 . . . . 74.54 108.834 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -85.43 30.07 0.64 Allowed 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.872 0.693 . . . . 75.22 112.872 -174.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.04 -49.61 76.69 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.785 0.834 . . . . 72.52 111.882 173.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -66.28 -29.16 69.32 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.376 0.27 . . . . 74.04 111.515 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.1 t -73.99 -38.06 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 123.719 0.808 . . . . 52.51 110.842 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.5 -36.26 83.32 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.015 0.926 . . . . 30.34 111.532 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.454 HG21 ' HA ' ' A' ' 84' ' ' CYS . 78.1 mt -80.85 -25.73 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.485 0 C-N-CA 123.799 0.84 . . . . 75.34 110.836 174.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.12 -1.25 60.74 Favored Glycine 0 N--CA 1.483 1.767 0 N-CA-C 114.25 0.46 . . . . 73.11 114.25 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.28 111.16 20.18 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.356 0.662 . . . . 52.33 111.073 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -70.4 139.18 51.82 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-O 121.593 0.711 . . . . 70.05 110.33 175.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.2 p -73.23 -25.22 60.64 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 115.735 1.754 . . . . 75.54 115.735 -160.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.54 -48.26 78.24 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 113.799 1.037 . . . . 71.41 113.799 -167.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -29.54 67.21 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 118.557 0.617 . . . . 70.4 111.219 179.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.36 -35.8 81.6 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.33 0.652 . . . . 72.44 110.782 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.9 t -77.17 -34.37 56.35 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.841 0.856 . . . . 60.12 112.316 172.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.89 74.17 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 114.317 1.229 . . . . 63.12 114.317 -171.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -63.19 -33.1 74.75 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 120.934 0.397 . . . . 71.52 111.376 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' A' ' 93' ' ' ALA . 55.8 mt -74.46 -33.73 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.265 0.626 . . . . 72.24 111.652 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.01 -46.29 68.31 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.164 0.986 . . . . 71.51 111.96 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.9 pp20? -78.28 -35.75 47.57 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 116.18 -0.463 . . . . 71.23 112.106 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.39 -49.01 78.63 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 123.16 0.584 . . . . 63.15 112.081 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -70.72 -26.18 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.307 0 C-N-CA 123.78 0.832 . . . . 62.12 110.781 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.697 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 88.7 t80 -63.58 -39.57 94.74 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.143 0.577 . . . . 74.14 112.534 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 91.0 mtt180 -52.68 -46.41 67.24 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.043 0.937 . . . . 75.34 112.383 -173.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.42 -56.54 3.17 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.936 0.717 . . . . 75.53 112.936 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.541 HG12 ' HD2' ' A' ' 58' ' ' LYS . 29.1 m -113.01 -13.37 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 114.599 1.333 . . . . 70.02 114.599 -168.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.697 ' HA3' ' HA ' ' A' ' 49' ' ' PHE . . . -63.49 -5.64 12.78 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 115.107 0.803 . . . . 71.41 115.107 -177.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -61.12 -5.8 1.67 Allowed 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 124.856 1.262 . . . . 63.11 113.205 166.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.4 p 67.4 46.9 1.34 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.935 2.094 . . . . 55.05 111.934 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -77.45 171.75 14.4 Favored 'General case' 0 CA--C 1.56 1.363 0 CA-C-N 113.913 -1.494 . . . . 74.04 110.998 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -61.01 -33.73 73.72 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.17 0.588 . . . . 74.34 111.125 173.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.541 ' HD2' HG12 ' A' ' 52' ' ' VAL . 18.8 ttmm -59.76 -42.4 93.17 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.729 0.812 . . . . 71.14 111.105 172.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -64.8 -43.3 93.61 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.745 0.818 . . . . 75.03 111.408 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.4 mmtp -54.84 -53.59 53.38 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.3 0.64 . . . . 70.33 111.068 178.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -66.32 -37.15 84.72 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.267 -0.879 . . . . 63.01 112.225 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.47 HH22 ' HE2' ' A' ' 100' ' ' MET . 10.5 tpt180 -70.89 -32.94 70.06 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.894 0.477 . . . . 74.0 111.766 -176.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.9 t -70.37 -43.61 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.864 0.866 . . . . 65.21 111.229 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 66.3 mtm180 -59.44 -42.13 91.21 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.276 0.56 . . . . 73.1 110.604 175.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.1 t -63.39 -51.31 66.37 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 115.073 -0.967 . . . . 71.14 111.786 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.53 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -65.06 -56.89 10.42 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.158 0.583 . . . . 74.45 111.565 -168.745 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.586 HG23 ' HB2' ' A' ' 23' ' ' ALA . 80.6 mt -56.24 -42.53 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 124.01 0.924 . . . . 63.03 111.514 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.9 t -61.84 -40.81 96.6 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.739 0.815 . . . . 52.45 111.945 176.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.572 ' HA ' ' HB2' ' A' ' 72' ' ' ASP . 17.4 m120 -75.83 -24.24 55.82 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.776 0.831 . . . . 72.3 112.92 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.609 HD22 ' HD3' ' A' ' 79' ' ' ARG . 87.0 mt -71.52 -31.41 67.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.163 0.585 . . . . 70.52 111.185 176.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -112.05 15.21 20.71 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.022 0.929 . . . . 73.41 111.885 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.572 ' HB2' ' HA ' ' A' ' 69' ' ' ASN . 8.6 t70 -65.15 137.34 57.57 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.536 0.734 . . . . 71.24 112.504 -170.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.09 -27.82 60.05 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.437 0.695 . . . . 73.02 112.453 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -84.97 -41.29 16.0 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.243 0.617 . . . . 74.04 110.364 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -132.84 77.82 67.69 Favored Pre-proline 0 CA--C 1.563 1.467 0 C-N-CA 123.088 0.555 . . . . 75.44 111.044 178.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -80.69 -20.24 8.05 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 122.651 2.234 . . . . 74.21 112.132 170.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 7.2 m-20 -61.28 -25.3 67.01 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.806 1.243 . . . . 60.44 112.301 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 55.8 tp -53.46 -58.37 7.38 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.871 0.868 . . . . 64.23 111.661 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.609 ' HD3' HD22 ' A' ' 70' ' ' LEU . 5.7 tpt180 -79.43 -31.0 42.51 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.817 0.673 . . . . 65.22 112.817 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.403 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 20.3 ttt180 -60.39 -31.84 70.75 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.079 0.551 . . . . 73.53 112.066 -178.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 90.0 m-20 -69.61 -30.62 68.4 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.139 0.576 . . . . 74.42 111.873 172.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.559 HG22 ' HB ' ' A' ' 87' ' ' ILE . 16.5 t -72.66 -35.87 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 122.577 0.351 . . . . 62.11 110.489 174.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.32 -36.12 82.1 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.782 0.833 . . . . 72.21 111.771 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.454 ' HA ' HG21 ' A' ' 33' ' ' ILE . 31.4 p -82.56 -16.32 48.99 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 122.765 0.426 . . . . 73.05 111.737 175.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.28 10.72 55.64 Favored Glycine 0 N--CA 1.476 1.336 0 N-CA-C 114.644 0.618 . . . . 72.51 114.644 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.91 -54.74 16.46 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.576 0.75 . . . . 64.34 111.477 174.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' A' ' 82' ' ' VAL . 65.2 mt -89.47 137.8 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.164 0.585 . . . . 72.35 109.79 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 p -76.87 152.59 82.74 Favored Pre-proline 0 N--CA 1.486 1.349 0 C-N-CA 122.967 0.507 . . . . 74.22 111.567 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -50.99 -32.48 38.61 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 123.25 2.633 . . . . 72.15 113.936 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -68.81 -48.0 64.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.716 0.406 . . . . 74.3 112.068 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -65.16 -47.09 78.23 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.051 0.389 . . . . 64.22 112.051 -173.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -65.35 -21.42 29.26 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.751 0 C-N-CA 122.555 0.342 . . . . 72.13 111.821 177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.456 ' HB2' HG23 ' A' ' 44' ' ' ILE . . . -82.55 -33.55 28.1 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.627 0.771 . . . . 75.21 112.936 175.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.0 m -92.3 -31.69 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 113.593 0.96 . . . . 64.31 113.593 -174.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 67.4 mtm -61.81 128.26 35.35 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.962 0.727 . . . . 74.2 112.962 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.3 p -71.18 171.99 10.04 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.015 0.526 . . . . 70.14 111.192 173.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.0 m -56.03 -38.67 70.87 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 122.946 0.499 . . . . 71.23 111.937 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -62.0 -35.19 77.79 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.302 1.041 . . . . 64.21 111.314 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -77.75 -37.9 48.13 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.734 0.813 . . . . 63.12 111.158 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.47 ' HE2' HH22 ' A' ' 62' ' ' ARG . 39.2 mtm -75.34 -1.32 23.19 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.841 0.856 . . . . 75.13 112.606 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.84 -14.57 62.0 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.939 0.896 . . . . 62.42 112.361 172.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.6 m 63.72 68.79 0.57 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.376 1.07 . . . . 64.34 110.625 -177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.33 -32.3 73.62 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.575 1.15 . . . . 53.42 111.833 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.66 -37.57 82.56 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.612 0.765 . . . . 71.04 111.976 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.407 ' HA ' ' HB ' ' A' ' 108' ' ' ILE . 55.7 mt -74.57 -4.56 37.75 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 112.819 0.674 . . . . 71.01 112.819 -176.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.546 ' HE2' ' HA ' ' A' ' 106' ' ' LYS . 11.1 mmpt? -67.1 -41.46 86.25 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.612 0.765 . . . . 70.3 111.31 170.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -92.74 -21.24 20.07 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.712 -0.676 . . . . 74.41 111.726 -179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 105' ' ' LEU . 47.2 mm -77.07 87.14 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.359 0 CA-C-O 121.84 0.829 . . . . 75.22 109.495 173.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -119.93 164.89 15.39 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.558 1.143 . . . . 73.13 109.946 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.52 18.85 6.05 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 124.407 1.083 . . . . 72.02 112.162 -173.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.8 3.82 54.56 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.297 1.039 . . . . 73.53 112.509 -176.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 53.5 tpp -70.98 91.79 0.89 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.973 0.509 . . . . 71.43 109.881 173.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 m . . . . . 0 CA--C 1.571 1.777 0 C-N-CA 125.066 1.346 . . . . 74.52 111.628 -178.257 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 119.692 -0.194 . . . . 70.23 110.546 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 62.33 79.44 0.26 Allowed 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.828 1.251 . . . . 75.23 111.531 -175.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.8 mtt -92.76 143.71 27.45 Favored Pre-proline 0 N--CA 1.483 1.204 0 C-N-CA 123.36 0.664 . . . . 73.54 110.377 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.88 157.54 37.87 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.491 2.128 . . . . 70.52 113.092 176.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.47 150.58 84.81 Favored Pre-proline 0 CA--C 1.559 1.305 0 C-N-CA 123.033 0.533 . . . . 54.21 110.499 174.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.94 141.96 50.17 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.774 2.316 . . . . 45.41 113.097 -173.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.1 m -70.0 126.99 31.25 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 CA-C-N 115.762 -0.653 . . . . 61.12 110.357 174.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.1 p -70.26 99.3 1.51 Allowed 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.495 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.9 t -54.13 -43.63 70.68 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.207 1.003 . . . . 73.32 112.897 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -147.41 173.07 12.98 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.063 -0.971 . . . . 54.55 110.164 -169.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.04 -34.39 56.24 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.189 0.995 . . . . 73.3 112.81 174.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.46 -50.82 77.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.388 0.675 . . . . 63.14 111.411 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -55.98 -47.28 77.98 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.617 1.167 . . . . 74.44 112.231 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -67.14 -44.35 80.04 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.386 -0.824 . . . . 73.42 111.22 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -63.66 -39.43 94.32 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.661 0.784 . . . . 73.31 111.556 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -64.43 -44.08 92.29 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.951 0.901 . . . . 53.43 111.37 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HE ' ' HB2' ' A' ' 42' ' ' ALA . 49.0 ttt180 -60.28 -42.31 95.15 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.144 0.577 . . . . 74.22 111.283 176.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -56.95 -52.16 66.3 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 112.868 0.692 . . . . 73.43 112.868 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -72.65 -28.05 62.5 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 112.672 0.619 . . . . 71.1 112.672 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.17 -41.31 99.22 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 122.803 0.441 . . . . 62.41 111.022 167.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -66.27 -40.59 90.21 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.562 0.745 . . . . 61.31 110.624 176.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.28 -32.02 73.44 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.97 0.908 . . . . 64.12 112.155 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.43 -30.63 71.73 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.323 0.649 . . . . 74.34 111.674 173.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.667 ' HB3' HD21 ' A' ' 83' ' ' LEU . 84.5 mt -86.97 -29.22 22.2 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.919 0.887 . . . . 70.0 112.415 176.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -86.85 -19.4 29.0 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 113.567 0.951 . . . . 61.43 113.567 -177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -52.47 -47.53 66.45 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 114.185 1.18 . . . . 63.13 114.185 -171.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -97.43 2.3 50.22 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.307 0.643 . . . . 75.03 112.119 176.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 m80 62.03 19.98 11.23 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.914 1.286 . . . . 53.55 113.781 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -57.87 -26.23 61.83 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 113.254 0.835 . . . . 75.22 113.254 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -62.73 -23.36 67.14 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.592 0.757 . . . . 65.0 112.757 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.53 -44.61 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.22 0.608 . . . . 75.04 111.685 -176.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.15 -30.17 68.34 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.307 0.643 . . . . 72.51 111.902 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -88.04 -31.35 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 C-N-CA 123.688 0.795 . . . . 75.51 112.043 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.42 55.64 6.69 Favored Glycine 0 N--CA 1.473 1.137 0 CA-C-N 116.109 -0.496 . . . . 75.11 112.433 -171.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -118.92 127.41 53.46 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.022 0.929 . . . . 74.11 110.872 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.483 ' HB2' ' HG2' ' A' ' 39' ' ' ARG . 7.8 m-20 -78.79 97.97 6.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.421 0.288 . . . . 64.02 110.567 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.1 m -57.65 -26.21 61.3 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.665 0.786 . . . . 50.02 112.966 -177.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.16 -38.7 66.12 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.103 0.561 . . . . 73.2 112.513 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 17.0 ptp180 -76.6 -31.46 57.47 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-N 118.494 0.588 . . . . 72.22 110.468 177.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.48 -49.14 70.2 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.886 0.474 . . . . 73.21 110.38 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.9 p -64.72 -29.66 70.65 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.634 0.774 . . . . 62.5 112.028 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.485 ' HB2' ' HE ' ' A' ' 17' ' ' ARG . . . -70.48 -39.78 73.99 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.559 0.743 . . . . 74.34 111.792 175.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -70.97 -29.8 65.89 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.626 0.37 . . . . 74.25 111.041 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.1 mt -64.07 -44.59 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.589 0.755 . . . . 73.52 110.095 166.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -41.1 98.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.408 1.083 . . . . 64.4 111.167 -172.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -39.56 92.4 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 118.055 0.389 . . . . 72.31 111.587 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 76.1 m -67.76 -48.97 64.89 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.94 0.496 . . . . 45.12 111.619 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.05 -25.52 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.398 0 C-N-CA 122.811 0.444 . . . . 73.52 111.039 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -73.24 -37.03 66.49 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 122.941 0.496 . . . . 73.42 111.924 175.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -69.92 -36.67 75.54 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.944 0.498 . . . . 75.42 111.791 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.97 -54.19 4.24 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-O 121.67 0.747 . . . . 75.34 111.83 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.664 HG21 ' HG2' ' A' ' 62' ' ' ARG . 6.3 t -110.63 -8.45 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 C-N-CA 124.4 1.08 . . . . 71.54 112.192 -169.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.11 19.67 0.12 Allowed Glycine 0 N--CA 1.478 1.445 0 N-CA-C 118.688 2.235 . . . . 54.33 118.688 -166.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.461 HD21 ' HD3' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -65.98 90.81 0.14 Allowed 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 118.682 1.241 . . . . 64.43 108.435 157.53 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.421 ' O ' ' HE3' ' A' ' 60' ' ' LYS . 8.2 t -55.57 -23.43 26.98 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.121 0.969 . . . . 75.52 113.571 -167.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.95 115.67 5.61 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.226 0.61 . . . . 74.41 110.98 169.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.2 ttt 67.17 -77.1 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 125.006 1.322 . . . . 73.01 114.276 169.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' HD3' HD21 ' A' ' 54' ' ' ASN . 61.2 tttp -58.16 -48.91 78.82 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.536 1.134 . . . . 71.34 113.266 -167.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.474 ' O ' HG23 ' A' ' 63' ' ' VAL . 59.1 t80 -59.75 -46.27 89.67 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.482 0.713 . . . . 75.41 112.465 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HE3' ' O ' ' A' ' 55' ' ' THR . 95.5 mttt -55.8 -46.23 78.06 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.899 0.88 . . . . 74.42 112.145 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -72.41 -33.3 67.05 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.363 0.665 . . . . 51.45 111.499 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.664 ' HG2' HG21 ' A' ' 52' ' ' VAL . 27.5 tpt180 -75.54 -26.82 58.34 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.095 0.558 . . . . 73.43 112.171 -177.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 59' ' ' TYR . 95.3 t -60.91 -40.65 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 109.689 -0.486 . . . . 71.33 109.689 170.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -65.49 -31.09 71.98 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.846 0.458 . . . . 65.22 111.482 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.1 m -60.47 -34.36 73.91 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 122.762 0.425 . . . . 65.02 111.205 174.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -73.92 -54.6 7.58 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.232 0.613 . . . . 71.34 110.751 175.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.1 mt -55.2 -57.86 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.505 1.122 . . . . 72.22 112.29 -176.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.2 t -56.02 -41.47 75.0 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.436 1.094 . . . . 72.11 112.211 -175.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -75.95 -30.01 58.51 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.521 0.728 . . . . 54.44 112.823 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.89 -46.13 72.5 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 120.8 0.333 . . . . 64.11 110.227 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -86.5 4.32 40.36 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.489 1.115 . . . . 54.42 112.139 -177.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -73.31 152.32 40.98 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.647 0.779 . . . . 74.21 112.866 -169.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.1 -21.58 39.8 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.951 0.9 . . . . 61.21 113.027 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -68.39 -37.29 80.24 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 123.01 0.524 . . . . 74.32 110.664 176.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -133.1 86.1 43.37 Favored Pre-proline 0 CA--C 1.561 1.382 0 C-N-CA 123.551 0.74 . . . . 74.35 109.316 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.22 -34.07 37.46 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.755 2.303 . . . . 52.44 111.859 176.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.98 -15.32 62.06 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.963 -1.017 . . . . 73.02 113.244 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.8 tp -56.77 -49.27 75.81 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 112.752 0.649 . . . . 60.3 112.752 -175.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -67.15 -36.83 82.68 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.839 0.456 . . . . 65.32 111.403 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -65.31 -39.89 93.07 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.946 1.298 . . . . 73.33 112.347 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.603 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 0.4 OUTLIER -76.83 -25.78 53.58 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.294 0.637 . . . . 72.45 112.23 -176.341 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.406 ' N ' HD22 ' A' ' 81' ' ' ASN . 93.5 t -70.3 -39.22 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-O 121.071 0.462 . . . . 74.54 110.01 172.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 24' ' ' LEU . 84.6 mt -66.08 -38.37 88.11 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.665 0.786 . . . . 71.42 112.221 176.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.603 ' SG ' ' HA ' ' A' ' 81' ' ' ASN . 17.4 p -81.63 -12.52 58.68 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 122.652 0.381 . . . . 32.44 111.752 176.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.26 17.27 69.57 Favored Glycine 0 C--N 1.352 1.451 0 N-CA-C 114.512 0.565 . . . . 72.15 114.512 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.17 -54.54 24.08 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.103 0.561 . . . . 71.24 110.394 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.5 mp -100.7 120.72 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 107.318 -1.364 . . . . 71.44 107.318 167.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.3 p -71.97 152.78 92.95 Favored Pre-proline 0 N--CA 1.482 1.166 0 C-N-CA 122.342 0.257 . . . . 54.41 111.159 -175.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -52.12 -29.82 38.48 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 123.253 2.635 . . . . 72.12 114.203 173.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -47.93 69.82 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.408 0.683 . . . . 70.22 110.016 175.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -64.09 -54.96 25.81 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.306 0.642 . . . . 72.41 111.77 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.62 -23.5 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 123.422 0.689 . . . . 74.04 112.493 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.21 -23.78 51.37 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.236 0.828 . . . . 55.23 113.236 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.1 m -110.95 -14.12 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 112.691 0.626 . . . . 55.44 112.691 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 80.9 mtp -58.73 139.98 55.44 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 123.698 0.799 . . . . 73.41 112.064 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.4 p -73.14 169.46 16.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.936 -0.478 . . . . 55.24 111.241 176.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.2 p -59.81 -35.5 74.83 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.803 0.441 . . . . 70.22 111.506 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.34 -39.55 81.85 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.402 0.681 . . . . 72.12 112.124 175.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -64.29 -41.41 96.89 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.6 0.76 . . . . 73.33 111.777 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 78.7 mtm -73.75 -16.73 61.17 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.603 0.761 . . . . 71.13 112.555 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.48 9.8 15.55 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.8 0.84 . . . . 73.12 111.664 175.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.1 t -67.4 114.82 6.39 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.739 1.014 . . . . 72.11 113.739 -171.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.1 -17.94 63.23 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 123.926 0.89 . . . . 74.34 110.745 168.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.93 -23.66 64.19 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.804 0.841 . . . . 74.44 111.565 176.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 76.5 mt -82.39 -21.13 35.97 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 112.722 0.638 . . . . 63.11 112.722 174.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -64.95 -35.71 82.04 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.685 0.794 . . . . 75.41 111.936 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.42 -25.61 54.64 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.794 0.838 . . . . 74.21 111.63 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.415 HG23 ' HB3' ' A' ' 111' ' ' ALA . 52.2 mm -76.25 120.28 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.609 0.764 . . . . 72.31 110.576 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -85.86 -75.48 0.37 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 122.768 0.427 . . . . 73.32 111.048 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -127.82 10.53 6.54 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.415 0.686 . . . . 72.4 111.872 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.415 ' HB3' HG23 ' A' ' 108' ' ' ILE . . . -72.04 90.79 1.19 Allowed 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.936 0.495 . . . . 72.54 111.152 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -132.89 -62.17 0.82 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.551 0.74 . . . . 65.41 110.173 -174.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.493 1.683 0 C-N-CA 123.992 0.917 . . . . 64.13 111.374 -177.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 120.556 0.217 . . . . 61.4 110.674 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -106.93 18.24 22.07 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.069 0.548 . . . . 73.41 110.952 169.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.413 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 24.8 ptp -142.99 175.05 3.1 Favored Pre-proline 0 CA--C 1.563 1.451 0 C-N-CA 124.244 1.018 . . . . 70.33 110.108 -172.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 3' ' ' MET . 33.9 Cg_endo -62.54 159.96 34.15 Favored 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 121.908 1.739 . . . . 53.15 112.352 169.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.473 HG11 ' HB1' ' A' ' 42' ' ' ALA . 97.4 t -57.12 116.77 14.55 Favored Pre-proline 0 CA--C 1.561 1.4 0 C-N-CA 123.126 0.57 . . . . 72.42 110.281 176.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.61 141.7 52.09 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 124.113 3.209 . . . . 74.34 114.727 -170.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.7 m -64.3 130.11 28.93 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 C-N-CA 124.473 1.109 . . . . 74.52 112.839 -174.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -86.22 122.41 30.18 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 109.225 -0.657 . . . . 63.43 109.225 169.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.6 m -60.77 -53.29 59.2 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.411 0.685 . . . . 71.34 111.644 -174.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.506 ' HB2' HG23 ' A' ' 12' ' ' VAL . 7.3 m-20 -121.44 -151.54 0.48 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.644 1.178 . . . . 72.44 108.908 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.01 12.32 11.58 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 122.77 0.428 . . . . 74.54 111.632 169.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.506 HG23 ' HB2' ' A' ' 10' ' ' ASP . 61.1 t -66.98 -61.65 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 123.757 0.823 . . . . 72.21 111.893 -178.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -72.93 -31.67 64.77 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.435 0.294 . . . . 73.42 111.183 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -63.35 -35.55 80.77 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 122.492 0.317 . . . . 73.0 111.069 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -57.77 -45.28 86.2 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.135 0.974 . . . . 75.32 111.13 172.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.812 ' SG ' HG21 ' A' ' 63' ' ' VAL . 43.0 t -61.68 -46.23 90.59 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.165 -0.925 . . . . 74.43 111.998 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -56.45 -47.98 78.01 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.569 0.748 . . . . 75.15 111.376 173.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.26 -37.44 80.42 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.17 0.588 . . . . 75.12 112.413 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 75.4 mtm -72.11 -47.05 54.12 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.868 0.467 . . . . 74.11 111.668 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 93.1 mt -60.59 -40.78 93.0 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 122.767 0.427 . . . . 74.42 111.224 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.709 HG22 HE21 ' A' ' 25' ' ' GLN . 85.7 m -64.89 -39.21 93.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.956 0.903 . . . . 73.24 110.901 176.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . . . -65.4 -34.4 78.22 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.625 0.77 . . . . 52.32 111.778 175.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.581 ' HB2' HG23 ' A' ' 67' ' ' ILE . . . -65.45 -30.21 70.97 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.904 0.882 . . . . 73.42 112.01 173.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 20' ' ' LEU . 57.2 mt -79.97 -38.41 32.29 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.927 0.491 . . . . 74.33 111.782 177.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.709 HE21 HG22 ' A' ' 21' ' ' THR . 11.4 pt20 -99.23 10.25 41.81 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.249 0.62 . . . . 71.23 112.302 -177.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 t -53.94 -42.72 69.17 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 123.669 0.788 . . . . 55.24 112.769 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -86.38 -24.49 25.75 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 124.073 0.949 . . . . 64.32 110.46 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.6 m80 68.61 6.21 5.33 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 125.88 1.672 . . . . 62.35 113.361 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.15 -26.14 68.4 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.776 0.83 . . . . 64.11 110.817 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.468 ' HD2' HD23 ' A' ' 83' ' ' LEU . 4.0 t-80 -58.68 -38.58 78.54 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 124.72 1.208 . . . . 71.21 110.756 175.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.38 -39.35 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.817 0.847 . . . . 73.33 110.407 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.04 91.78 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.22 1.008 . . . . 65.02 112.75 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 83' ' ' LEU . 51.5 mt -77.57 -24.62 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 C-N-CA 123.336 0.654 . . . . 75.01 111.193 175.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.25 22.78 36.63 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 116.764 -0.198 . . . . 73.01 113.084 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.19 125.59 29.58 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.399 0.68 . . . . 74.32 110.424 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.481 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 4.2 m-20 -78.22 97.4 5.51 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.756 0.822 . . . . 74.23 110.879 -175.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.4 p -65.29 -48.95 71.37 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 113.913 1.079 . . . . 53.24 113.913 -170.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.36 -26.19 63.61 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 112.129 0.418 . . . . 74.2 112.129 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -62.52 -51.36 67.72 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.645 0.778 . . . . 51.04 111.291 171.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 36' ' ' ASP . 44.6 mt -60.48 -51.55 68.99 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.913 0.485 . . . . 73.34 110.445 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 36.7 t -57.79 -41.29 81.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.542 1.137 . . . . 34.11 112.363 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB1' HG11 ' A' ' 5' ' ' VAL . . . -60.14 -41.53 92.9 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.826 0.851 . . . . 63.54 112.305 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -77.19 -26.14 52.52 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 115.392 -0.822 . . . . 65.15 111.736 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 98.9 mt -69.15 -37.93 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 122.664 0.386 . . . . 74.22 110.108 170.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 41' ' ' SER . 7.3 mm-40 -55.37 -29.88 59.26 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.436 1.094 . . . . 64.34 112.955 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -66.97 -49.32 65.77 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.432 0.693 . . . . 74.25 111.55 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.42 -43.88 38.38 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.676 0.79 . . . . 64.22 112.741 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.7 tt -67.73 -27.26 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 123.319 0.648 . . . . 74.05 111.656 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 41.5 t80 -66.06 -24.24 66.69 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.111 0.964 . . . . 73.03 112.348 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -67.96 -48.24 66.39 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.107 0.563 . . . . 73.43 111.998 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -88.71 -55.66 3.62 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 121.686 0.755 . . . . 72.21 111.367 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.653 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 42.6 t -87.79 -10.43 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.067 0.947 . . . . 64.34 113.007 -170.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.51 -2.26 0.43 Allowed Glycine 0 N--CA 1.487 2.063 0 N-CA-C 116.459 1.344 . . . . 75.31 116.459 -174.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.15 96.37 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.749 0 C-N-CA 123.984 0.914 . . . . 64.24 110.296 158.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.3 p -87.15 20.18 2.83 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 113.665 0.987 . . . . 73.22 113.665 -171.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.77 -81.87 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 122.796 0.438 . . . . 74.21 110.689 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.2 ttt -126.81 -39.55 1.96 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.065 0.546 . . . . 55.24 110.632 175.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.653 ' HE3' ' HA ' ' A' ' 52' ' ' VAL . 3.7 tmmm? -56.63 -36.13 69.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.757 0.823 . . . . 74.13 112.882 -170.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.556 ' HA ' HG12 ' A' ' 52' ' ' VAL . 61.9 t80 -65.82 -35.01 79.47 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 118.287 0.494 . . . . 73.1 111.877 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -44.02 49.33 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.295 1.038 . . . . 73.02 110.466 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -77.24 -30.9 54.73 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.617 1.167 . . . . 74.4 112.232 -172.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.505 ' HE ' ' HA ' ' A' ' 62' ' ' ARG . 0.8 OUTLIER -73.83 -44.05 56.88 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.915 0.486 . . . . 73.41 111.05 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.812 HG21 ' SG ' ' A' ' 16' ' ' CYS . 70.2 t -65.95 -43.22 92.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.225 -0.898 . . . . 71.31 112.574 -177.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -61.47 -33.43 73.74 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 118.572 0.624 . . . . 71.55 111.818 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.5 t -75.37 -31.28 60.46 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.697 0.799 . . . . 64.34 111.056 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.402 ' NH2' HG13 ' A' ' 92' ' ' ILE . 8.9 tpt180 -67.58 -37.24 82.32 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.702 0.801 . . . . 71.13 111.526 176.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.581 HG23 ' HB2' ' A' ' 23' ' ' ALA . 10.6 mm -52.88 -45.89 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 124.143 0.977 . . . . 54.24 112.124 176.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 97.3 p -60.73 -32.9 72.16 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.259 0.624 . . . . 51.34 112.067 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -73.35 -31.36 63.91 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.935 0.894 . . . . 75.0 112.02 175.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.567 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 88.9 mt -85.47 -8.77 58.19 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.407 0.683 . . . . 73.13 112.137 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HD2' HG22 ' A' ' 67' ' ' ILE . 19.0 ptmt -121.87 14.29 10.77 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.152 0.981 . . . . 73.41 110.751 174.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.53 123.64 20.59 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.779 0.831 . . . . 75.01 112.284 -169.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.87 1.21 50.75 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.814 0.846 . . . . 74.24 113.231 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -96.59 -51.85 4.16 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.207 0.603 . . . . 64.12 109.456 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -98.67 101.76 12.83 Favored Pre-proline 0 N--CA 1.481 1.106 0 N-CA-C 108.685 -0.857 . . . . 72.43 108.685 171.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -79.33 -26.49 4.98 Favored 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.174 1.916 . . . . 75.5 112.182 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.583 ' HA ' ' HB3' ' A' ' 80' ' ' ARG . 13.9 t70 -75.58 -30.67 59.71 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.936 0.895 . . . . 54.32 112.633 -165.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.4 tp -55.75 -55.44 32.3 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.43 0.692 . . . . 70.53 111.048 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 -75.6 -29.74 59.35 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.857 0.863 . . . . 74.32 112.788 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.583 ' HB3' ' HA ' ' A' ' 77' ' ' ASP . 36.6 ttt180 -59.01 -43.58 91.58 Favored 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 124.143 0.977 . . . . 75.14 112.252 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -70.96 -25.06 62.56 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 115.739 -0.664 . . . . 62.31 111.499 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.5 t -79.98 -26.43 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.671 0 C-N-CA 122.914 0.486 . . . . 71.32 110.933 172.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 80' ' ' ARG . 89.0 mt -65.36 -30.55 71.4 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 124.03 0.932 . . . . 71.35 111.577 173.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.7 p -102.44 -16.48 16.17 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.151 0.581 . . . . 72.03 112.011 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.4 27.55 54.74 Favored Glycine 0 CA--C 1.544 1.874 0 N-CA-C 114.075 0.39 . . . . 55.05 114.075 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.44 -8.97 59.75 Favored 'General case' 0 CA--C 1.563 1.458 0 C-N-CA 124.486 1.115 . . . . 64.04 113.645 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.4 mt -107.7 135.99 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 C-N-CA 123.275 0.63 . . . . 61.5 110.44 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.438 ' OG1' ' HB2' ' A' ' 91' ' ' GLN . 43.1 p -71.46 142.88 87.06 Favored Pre-proline 0 N--CA 1.484 1.26 0 C-N-CA 123.15 0.58 . . . . 53.13 110.625 176.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.47 -24.93 63.86 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 123.377 2.718 . . . . 73.31 114.658 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -73.63 -46.89 44.15 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.12 0.168 . . . . 74.01 110.806 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.438 ' HB2' ' OG1' ' A' ' 88' ' ' THR . 0.0 OUTLIER -58.27 -47.85 82.32 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.848 0.859 . . . . 73.44 111.208 -175.145 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.402 HG13 ' NH2' ' A' ' 66' ' ' ARG . 10.3 tp -63.37 -38.65 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.512 0 C-N-CA 122.876 0.47 . . . . 75.13 111.235 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.31 -31.39 58.16 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.273 0.842 . . . . 63.13 113.273 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.6 m -82.29 -19.58 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 112.376 0.51 . . . . 74.43 112.376 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.7 mtm -75.86 125.84 29.86 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 120.677 0.275 . . . . 64.25 111.619 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.9 p -82.92 179.29 7.81 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.189 0.996 . . . . 74.25 111.567 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -52.65 -34.42 51.4 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 123.515 0.726 . . . . 63.34 112.578 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.95 -54.43 44.89 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.591 1.156 . . . . 72.2 112.055 172.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -78.16 -29.3 48.56 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 115.609 -0.723 . . . . 72.1 112.877 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mtm -74.2 -40.3 62.58 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.253 0.621 . . . . 65.33 111.539 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.37 78.12 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.686 0.395 . . . . 72.13 111.491 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.481 ' HB3' HD23 ' A' ' 105' ' ' LEU . 50.6 m 52.47 95.22 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.905 1.282 . . . . 45.44 113.25 173.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.413 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 13.4 m-20 -59.37 -35.1 73.28 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.327 0.651 . . . . 71.32 112.212 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.22 -41.11 97.18 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.641 0.776 . . . . 70.5 111.883 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 102' ' ' SER . 3.5 mm? -81.86 -15.6 53.49 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 113.208 0.818 . . . . 53.22 113.208 177.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 103' ' ' ASP . 56.6 mtmt -78.58 -28.49 45.87 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.686 0.394 . . . . 71.11 111.7 173.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.534 ' HG3' HG12 ' A' ' 108' ' ' ILE . 11.7 pt-20 -89.2 -32.11 17.6 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.664 0.386 . . . . 64.32 110.44 172.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.534 HG12 ' HG3' ' A' ' 107' ' ' GLU . 37.3 mm -105.04 74.32 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.976 0.91 . . . . 74.14 109.429 176.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -85.57 90.89 8.1 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.743 -0.662 . . . . 73.41 109.413 176.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.6 mptt 67.63 -66.4 0.21 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 125.646 1.578 . . . . 71.33 111.791 -166.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 76.29 -54.39 0.6 Allowed 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 126.141 1.776 . . . . 62.33 112.513 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 86.9 mtp -71.65 101.32 2.5 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.586 0.754 . . . . 55.02 111.622 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.492 1.666 0 C-N-CA 125.068 1.347 . . . . 63.33 112.237 177.813 . . . . . . . . 0 0 . 1 stop_ save_