data_2lfd_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 2lfd _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 ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 120.596 0.236 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.27 -46.32 89.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.087 0.47 . . . . 0.0 110.08 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.454 HD11 HG11 ' A' ' 108' ' ' VAL . 36.7 tp -62.36 -46.28 89.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.362 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -58.32 -36.06 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.568 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.57 -46.11 87.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.947 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.433 ' HG2' ' HH ' ' A' ' 51' ' ' TYR . 13.5 mm-40 -64.94 -42.19 94.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.172 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -61.21 -39.33 89.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.093 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -62.0 -44.15 97.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.201 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.481 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.12 -42.26 94.54 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.776 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.538 HG22 HD12 ' A' ' 101' ' ' LEU . 68.1 mt -58.55 -43.37 86.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.88 0.371 . . . . 0.0 110.489 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -59.18 -47.99 83.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.104 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.537 ' O ' HG22 ' A' ' 21' ' ' VAL . 95.1 mt -62.88 -44.67 99.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.085 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.9 mt -58.51 -45.34 89.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.881 0.372 . . . . 0.0 110.989 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -64.65 -35.89 82.49 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 121.273 0.559 . . . . 0.0 110.646 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.02 -44.98 78.89 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.205 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 17' ' ' ILE . 95.4 t -63.91 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.248 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.32 -39.81 84.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.098 0.475 . . . . 0.0 110.741 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -65.23 -50.85 64.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.757 0.789 . . . . 0.0 109.392 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -65.86 -22.58 66.54 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.722 -176.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.68 74.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.279 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 26' ' ' LYS . 31.0 mmtm -76.56 -29.05 56.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.329 175.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.63 -40.2 82.68 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.98 58.61 4.68 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.533 -0.758 . . . . 0.0 114.471 168.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.571 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.2 t70 -122.84 131.55 53.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.019 0.41 . . . . 0.0 110.399 171.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -61.16 -48.48 81.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.526 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -62.4 -41.78 98.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.307 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.586 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.7 tp10 -60.08 -47.54 85.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.455 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 88.8 mt -59.32 -42.16 90.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.615 0.245 . . . . 0.0 111.282 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.5 98.3 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.118 0.485 . . . . 0.0 110.476 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -59.93 -47.49 85.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.834 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 96.3 mt -59.04 -46.02 89.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.494 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' HG22 ' A' ' 41' ' ' VAL . 67.1 t30 -60.01 -44.55 94.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.2 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -63.79 -37.27 86.74 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.43 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.535 ' HG3' HD12 ' A' ' 17' ' ' ILE . 5.9 tp10 -60.79 -45.17 95.45 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.273 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.455 HD12 HG21 ' A' ' 21' ' ' VAL . 70.6 mt -64.32 -50.68 75.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.858 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 37' ' ' ASN . 79.4 t -57.53 -44.78 85.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.036 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.62 -43.22 93.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.131 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.6 -47.82 65.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.4 mm-40 -59.97 -43.51 95.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.02 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -62.23 -42.03 98.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.383 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -66.39 -38.26 87.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.114 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -58.45 -45.42 94.44 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.998 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 44' ' ' GLU . 66.3 t -57.62 -39.96 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.072 0.463 . . . . 0.0 110.688 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.41 -44.7 95.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.762 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.21 -45.45 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.433 ' HH ' ' HG2' ' A' ' 11' ' ' GLU . 21.5 m-85 -64.71 -34.94 79.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.551 ' O ' ' HE2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -62.45 -43.65 98.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.008 0.432 . . . . 0.0 110.074 175.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.6 -46.52 89.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.025 176.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.82 76.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.701 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.42 88.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.266 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -74.54 -30.04 61.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.275 0.559 . . . . 0.0 110.017 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -89.48 10.53 22.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.22 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.17 123.74 22.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.481 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -70.69 -47.61 58.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.527 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.643 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 2.0 m-20 -108.84 139.07 20.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.34 -27.49 84.96 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.477 2.118 . . . . 0.0 111.025 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.85 -45.59 93.14 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.228 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.643 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 60.6 mmtt -73.92 -32.18 63.42 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.842 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -64.53 -36.32 83.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -54.56 -47.48 73.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.977 0.417 . . . . 0.0 110.619 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.8 -49.18 84.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.506 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.28 -46.09 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.033 0.444 . . . . 0.0 111.139 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.92 -39.39 91.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.429 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.02 -47.64 85.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.466 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.71 -37.3 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.653 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 52' ' ' LYS . 6.5 mt -55.14 -45.25 75.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.275 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -69.24 -41.07 77.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.925 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 5.7 m-20 -66.19 -38.29 87.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.24 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' O ' HG13 ' A' ' 78' ' ' ILE . 49.7 mm-40 -70.56 -40.46 73.35 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.497 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.8 -41.57 82.42 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 121.2 0.524 . . . . 0.0 109.592 172.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 36.9 ttmt -58.07 -43.0 86.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.582 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 65.6 m170 -62.65 -45.2 93.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.551 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.1 mt -57.51 -39.95 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.508 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.9 -41.74 92.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.332 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -64.47 -45.83 85.69 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.194 0.521 . . . . 0.0 110.884 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -69.63 -29.4 66.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.449 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -59.24 -38.2 79.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.535 172.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.09 -40.24 78.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.418 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.781 177.076 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.46 -45.7 93.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.009 0.433 . . . . 0.0 111.062 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.54 -39.86 92.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.065 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.495 ' O ' HG22 ' A' ' 97' ' ' VAL . 71.6 t80 -62.61 -47.65 82.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.464 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.03 85.39 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.7 m -67.84 -40.11 83.75 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.718 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.18 -47.36 86.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.144 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 93' ' ' PHE . 90.0 t -58.78 -47.29 89.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.25 -36.91 84.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.197 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -69.79 -42.97 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -58.98 -39.47 81.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.671 176.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.538 HD12 HG22 ' A' ' 15' ' ' ILE . 55.6 tp -56.94 -46.89 81.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.825 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.575 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 16.6 mm-40 -58.69 -39.23 80.16 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.435 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -63.13 -49.51 74.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.257 0.551 . . . . 0.0 110.36 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.433 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 41.5 mm-40 -63.86 -34.59 78.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.166 -177.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 95.6 mt-30 -63.64 -36.49 84.01 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.797 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 62.6 mtt180 -63.91 -43.45 95.92 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 175.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.405 ' O ' HG13 ' A' ' 111' ' ' ILE . 51.7 m170 -58.63 -49.22 78.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.003 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.454 HG11 HD11 ' A' ' 8' ' ' LEU . 56.1 t -60.74 -43.57 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.373 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -57.29 -42.97 82.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.2 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.66 -41.55 68.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.857 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 107' ' ' HIS . 83.2 mt -72.82 -39.38 59.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.3 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.364 0.602 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.52 -43.6 72.72 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.699 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.646 HD13 HG11 ' A' ' 108' ' ' VAL . 32.5 tp -58.53 -42.72 88.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.288 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -61.27 -35.85 78.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.819 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.41 93.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.602 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.515 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.4 mm-40 -62.98 -48.01 80.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.422 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.73 -27.43 67.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.289 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -44.8 83.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.365 0.603 . . . . 0.0 109.694 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.84 -34.84 72.14 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.322 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 11' ' ' GLU . 74.7 mt -57.77 -40.26 74.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.62 0.248 . . . . 0.0 110.692 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.647 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 12.7 tmtt? -60.13 -48.16 82.9 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.571 ' O ' HG22 ' A' ' 21' ' ' VAL . 78.8 mt -64.26 -41.56 92.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.104 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 101' ' ' LEU . 97.3 mt -60.63 -39.26 87.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.819 0.343 . . . . 0.0 110.851 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HG2' HD12 ' A' ' 101' ' ' LEU . 2.7 mmpt? -64.76 -35.0 79.66 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.195 0.522 . . . . 0.0 110.685 175.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.647 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 5.5 mm-40 -69.32 -47.43 64.49 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.262 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 17' ' ' ILE . 47.5 t -65.84 -38.74 82.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.4 -37.14 74.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.847 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -71.32 -51.72 22.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.696 0.76 . . . . 0.0 110.24 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.455 ' CD ' HD11 ' A' ' 36' ' ' LEU . 97.5 mttt -61.84 -23.31 66.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.21 -1.359 . . . . 0.0 112.407 -176.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -60.39 -43.97 96.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.394 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' A' ' 26' ' ' LYS . 18.6 ptmt -76.37 -28.21 56.71 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.805 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.09 -37.49 82.89 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 109.955 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.31 48.03 5.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.932 -0.652 . . . . 0.0 114.506 167.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.573 ' HB3' ' HB2' ' A' ' 32' ' ' GLU . 13.6 t70 -107.64 110.17 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 171.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.34 -29.38 68.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.086 -172.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -71.3 -43.65 66.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.573 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 4.1 mm-40 -62.69 -41.66 99.22 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.642 174.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 81.3 mt -58.99 -47.39 85.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.435 0.16 . . . . 0.0 111.272 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.19 91.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.185 0.517 . . . . 0.0 110.377 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -64.3 -41.19 96.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.35 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 98.2 mt -67.58 -41.93 83.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.949 177.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -60.6 -44.66 96.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -43.35 86.94 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.797 172.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.64 -45.79 90.94 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.728 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 36' ' ' LEU . 86.3 mt -60.65 -50.57 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.04 -37.58 77.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.978 0.418 . . . . 0.0 110.486 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -58.88 -46.63 87.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.462 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.42 -47.16 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.228 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.48 ' O ' HG21 ' A' ' 48' ' ' VAL . 9.5 mm-40 -59.13 -44.95 92.05 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -59.04 -41.49 87.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.368 178.652 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -67.68 -41.55 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.912 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.522 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -61.48 -45.82 95.59 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.972 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 44' ' ' GLU . 67.6 t -56.55 -38.79 58.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.755 0.312 . . . . 0.0 110.906 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -62.81 -41.41 99.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.829 0.347 . . . . 0.0 111.008 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.48 -41.85 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.116 0.484 . . . . 0.0 110.491 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 52.7 m-85 -70.18 -37.61 75.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.395 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -60.36 -35.18 75.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.518 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.4 -51.24 61.69 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.646 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.44 68.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.167 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.56 84.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.707 0.289 . . . . 0.0 111.657 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -86.91 4.39 41.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.93 0.395 . . . . 0.0 110.988 -177.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -128.58 14.11 6.5 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.629 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.38 134.97 38.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.037 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -101.98 -1.65 31.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.692 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -127.08 121.03 22.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -51.92 -44.76 43.03 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.344 2.696 . . . . 0.0 113.068 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.426 ' O ' HG22 ' A' ' 66' ' ' VAL . 22.8 mp0 -62.94 -44.65 95.49 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.397 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -72.54 -32.24 65.94 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.714 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -61.04 -39.69 90.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.189 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -66.21 -37.71 86.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.449 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 62' ' ' GLU . 57.6 t -59.95 -45.96 94.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.408 175.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.59 -43.1 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.425 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.7 -38.27 90.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.403 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -59.91 -45.83 91.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.187 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.71 -39.12 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.034 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.482 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 14.3 mt -57.24 -40.32 77.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 173.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -67.64 -44.77 77.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.883 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 19.5 m-20 -65.02 -44.82 87.93 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.091 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 78' ' ' ILE . 57.9 mm-40 -67.86 -42.39 81.41 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.015 -178.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.15 -44.07 87.68 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 33.8 ttmt -58.21 -41.77 84.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.012 176.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 51.1 m170 -59.24 -46.26 88.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.642 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 74' ' ' GLU . 67.6 mt -58.59 -40.12 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.204 177.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.47 -41.81 77.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.501 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -64.37 -46.45 83.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.212 0.53 . . . . 0.0 110.433 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -70.63 -31.82 68.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.354 -175.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -68.74 -38.54 80.23 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.572 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.07 -32.28 68.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 177.161 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.43 -43.91 98.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.918 0.389 . . . . 0.0 111.27 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -67.43 -35.99 80.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.816 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.428 ' O ' HG22 ' A' ' 97' ' ' VAL . 69.6 t80 -66.81 -39.42 87.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.292 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.9 85.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.662 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.2 t -69.92 -36.29 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.059 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.36 -48.09 83.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.549 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 93' ' ' PHE . 59.8 t -63.45 -40.83 90.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.591 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.21 -45.72 87.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.67 -42.52 91.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.462 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.44 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 3.8 t-160 -61.13 -47.34 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.104 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.505 HD12 ' HG2' ' A' ' 19' ' ' LYS . 4.1 tt -57.98 -45.16 87.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.479 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.503 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 10.4 mm-40 -63.49 -36.22 83.05 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.598 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -69.06 -41.73 77.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.211 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.456 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 18.3 mm-40 -65.06 -36.27 83.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.614 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 60.2 tt0 -64.21 -44.64 91.32 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 175.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -62.53 -33.98 75.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.467 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.417 ' O ' HG13 ' A' ' 111' ' ' ILE . 61.4 m170 -62.91 -45.98 89.98 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 174.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.646 HG11 HD13 ' A' ' 8' ' ' LEU . 92.7 t -60.79 -46.03 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.373 . . . . 0.0 110.036 175.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 72.2 mm-40 -57.41 -38.14 73.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.242 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.81 -40.16 72.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.529 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 107' ' ' HIS . 70.9 mt -72.89 -35.83 50.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.348 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 . . . . . 0 C--N 1.332 -0.173 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.078 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.659 0.266 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.3 -50.09 75.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.102 0.477 . . . . 0.0 110.427 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.734 ' HG ' HE21 ' A' ' 12' ' ' GLN . 19.9 tp -70.43 -40.96 73.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.71 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -61.18 -36.95 81.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.4 97.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 110.263 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' HB2' ' HH ' ' A' ' 51' ' ' TYR . 4.9 tp10 -62.09 -47.9 82.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.935 177.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.734 HE21 ' HG ' ' A' ' 8' ' ' LEU . 78.8 mt-30 -62.49 -38.07 88.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.01 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -61.88 -42.37 98.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.18 0.514 . . . . 0.0 110.089 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -65.2 -38.84 95.65 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.723 176.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.476 HG22 ' HE2' ' A' ' 19' ' ' LYS . 69.4 mt -60.67 -39.16 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.689 0.28 . . . . 0.0 110.728 176.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -59.08 -47.45 85.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.175 0.512 . . . . 0.0 109.746 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 21' ' ' VAL . 78.3 mt -61.61 -44.33 98.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.747 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.494 ' HB3' ' HG ' ' A' ' 101' ' ' LEU . 92.3 mt -58.49 -44.39 89.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 0.0 111.077 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HE2' HG22 ' A' ' 15' ' ' ILE . 58.8 mtmt -66.7 -34.96 79.01 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.894 0.378 . . . . 0.0 110.802 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.93 -46.34 88.26 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.574 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 17' ' ' ILE . 61.2 t -64.67 -40.02 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.564 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.52 -39.44 87.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.459 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HZ2' ' CD ' ' A' ' 27' ' ' GLU . 14.0 tmtt? -62.38 -50.67 70.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.648 0.737 . . . . 0.0 109.568 174.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.1 -26.57 64.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.27 -1.332 . . . . 0.0 112.111 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.65 ' HB3' ' HB1' ' A' ' 94' ' ' ALA . . . -65.59 -25.98 67.64 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -71.87 -29.73 64.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.187 0.518 . . . . 0.0 110.388 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.409 ' CD ' ' HZ2' ' A' ' 23' ' ' LYS . 22.1 mt-10 -92.8 -58.92 2.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.928 -178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.784 ' HA2' HD13 ' A' ' 33' ' ' LEU . . . 56.91 72.86 0.51 Allowed Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.389 -0.823 . . . . 0.0 114.265 173.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -87.33 -83.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.404 -0.519 . . . . 0.0 109.794 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.504 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 9.5 pt-20 -173.04 -58.95 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 175.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.504 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 15.9 mm-40 -60.49 -44.84 95.52 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -168.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.19 -42.77 88.4 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 120.729 0.299 . . . . 0.0 110.461 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.784 HD13 ' HA2' ' A' ' 28' ' ' GLY . 89.0 mt -63.51 -43.5 97.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.811 -179.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.8 81.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 35' ' ' ARG . 31.0 ttt180 -66.24 -46.42 77.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' ILE . 58.2 mt -60.92 -39.1 88.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.291 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' HG22 ' A' ' 41' ' ' VAL . 40.1 t-20 -58.44 -48.79 79.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.143 0.497 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.931 ' HA ' HE21 ' A' ' 38' ' ' GLN . 0.0 OUTLIER -67.78 -36.44 80.49 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.203 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.5 -42.46 99.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.462 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 36' ' ' LEU . 93.5 mt -57.46 -49.3 80.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 176.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 37' ' ' ASN . 94.4 t -56.64 -48.79 80.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.891 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.5 -46.04 84.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.202 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.07 -48.8 74.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.883 -174.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 48' ' ' VAL . 24.2 tt0 -70.61 -39.49 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.793 -177.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.9 -38.06 86.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.915 0.388 . . . . 0.0 110.384 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -65.39 -42.25 92.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.845 175.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -60.98 -39.31 96.86 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.437 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 44' ' ' GLU . 92.3 t -56.66 -40.55 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.893 0.378 . . . . 0.0 110.605 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.02 -46.06 89.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.654 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.45 -40.17 87.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.763 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HH ' ' HB2' ' A' ' 11' ' ' GLU . 17.8 m-85 -63.12 -43.84 97.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 176.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.55 81.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.385 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.96 -48.74 80.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.71 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.81 -33.79 66.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.782 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.94 79.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 111.903 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.66 -16.32 57.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.835 0.35 . . . . 0.0 110.669 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -86.47 1.76 50.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.803 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.31 120.15 13.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -67.67 -41.47 83.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.689 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -93.67 127.18 46.9 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.526 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.15 -30.85 24.41 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.784 2.322 . . . . 0.0 113.632 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.69 -46.44 75.6 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.445 0.64 . . . . 0.0 110.741 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -72.71 -21.92 60.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -65.55 -42.16 92.18 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -38.48 80.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.367 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 70' ' ' ILE . 51.9 t -60.76 -47.06 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.444 177.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.94 -40.48 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.596 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.53 ' HA ' HD13 ' A' ' 71' ' ' LEU . 12.4 t70 -63.62 -37.61 87.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.323 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 69' ' ' LYS . 44.3 mtpt -65.62 -42.91 91.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.933 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 84.9 mt -58.56 -41.97 83.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 68' ' ' ASP . 52.2 mt -57.07 -43.17 81.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.798 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -65.31 -44.88 86.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.454 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.529 ' HA ' ' HZ2' ' A' ' 76' ' ' LYS . 19.1 m-20 -61.66 -42.12 98.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.251 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 13.1 mm-40 -65.97 -39.12 90.1 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.465 177.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -57.45 -43.67 84.14 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.355 0.598 . . . . 0.0 110.111 173.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.529 ' HZ2' ' HA ' ' A' ' 73' ' ' ASP . 3.6 ttmp? -60.08 -38.71 83.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.909 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.8 m170 -66.4 -48.23 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.246 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.12 -38.01 58.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.385 0.612 . . . . 0.0 110.322 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.77 -40.39 96.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.117 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -61.11 -45.01 96.43 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -67.68 -29.62 68.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.874 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -62.2 -42.5 99.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.35 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 110.456 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.411 177.55 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -62.17 -48.6 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -175.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -67.02 -34.33 77.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.646 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.408 ' O ' HG22 ' A' ' 97' ' ' VAL . 7.9 t80 -69.09 -42.63 75.91 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' A' ' 25' ' ' ALA . . . -60.41 -39.41 87.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.599 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 23.8 t -60.89 -45.42 94.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.341 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.59 -47.79 84.66 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.107 0.479 . . . . 0.0 110.678 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 93' ' ' PHE . 95.6 t -61.6 -41.57 90.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.956 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.04 -45.61 92.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.914 0.388 . . . . 0.0 111.103 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 95' ' ' SER . 78.1 mt-30 -66.35 -35.98 81.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.943 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 6.0 t-160 -69.67 -42.77 73.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.583 176.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.494 ' HG ' ' HB3' ' A' ' 18' ' ' LEU . 1.2 mt -57.47 -45.49 84.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.141 -177.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -60.68 -38.05 83.65 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.781 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -40.61 77.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 0.0 110.018 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.436 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 47.8 mm-40 -67.81 -37.53 82.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.096 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -62.52 -35.63 80.02 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.27 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -64.67 -40.82 96.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.482 174.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.406 ' O ' HG13 ' A' ' 111' ' ' ILE . 57.6 m170 -61.01 -51.24 70.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.169 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.84 -41.92 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.382 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -56.95 -43.28 81.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.391 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.15 -50.08 37.21 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.519 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 107' ' ' HIS . 79.8 mt -62.57 -36.71 76.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 111.972 -175.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.88 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.74 0.305 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.7 tp -66.89 -43.14 84.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.096 0.474 . . . . 0.0 110.059 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 tp -60.27 -45.3 93.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.853 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.23 -41.94 98.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.694 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.08 92.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 110.789 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.74 -47.01 70.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.493 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.25 -28.45 69.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.497 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.39 -41.91 97.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.445 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.471 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.69 -41.96 98.82 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.198 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.02 -41.17 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.092 0.473 . . . . 0.0 110.365 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -59.41 -48.12 82.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.302 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 21' ' ' VAL . 82.3 mt -61.3 -45.34 98.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.942 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -58.27 -43.84 88.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.327 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 19.9 mmtp -66.22 -39.18 89.42 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.651 0.263 . . . . 0.0 111.079 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -64.38 -41.0 96.92 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.018 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.54 HG22 HD13 ' A' ' 40' ' ' ILE . 93.5 t -70.27 -42.41 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 tp -59.23 -37.2 76.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.541 . . . . 0.0 110.174 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -61.04 -50.2 74.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.031 176.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.706 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 4.9 mptp? -60.73 -32.8 72.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.809 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.68 75.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.883 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -75.27 -35.74 61.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.015 0.436 . . . . 0.0 110.188 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.54 -35.1 79.39 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.578 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.71 42.53 5.39 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.229 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.555 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.7 t0 -106.32 100.05 9.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.344 0.592 . . . . 0.0 109.653 176.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.79 -38.54 86.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.043 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -65.37 -38.02 88.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.181 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.706 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 4.7 tp10 -67.17 -42.96 83.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.432 175.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 87.0 mt -59.16 -46.15 89.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.43 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.64 83.26 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.191 0.519 . . . . 0.0 110.653 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.526 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 31.1 ttt180 -67.66 -47.17 70.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.411 176.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.539 ' O ' HG13 ' A' ' 40' ' ' ILE . 92.4 mt -60.04 -44.74 94.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.531 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -58.02 -42.42 85.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 110.565 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -43.15 98.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.683 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -66.6 -38.5 87.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.654 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.54 HD13 HG22 ' A' ' 21' ' ' VAL . 82.4 mt -59.24 -50.27 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.671 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.3 t -59.55 -49.9 81.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 42' ' ' LYS . 53.0 mtpt -59.44 -45.94 90.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 111.242 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.88 -48.61 62.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.081 -175.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.544 ' O ' HG21 ' A' ' 48' ' ' VAL . 24.0 tt0 -70.33 -38.16 74.85 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.762 -177.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -59.39 -37.38 77.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.856 0.36 . . . . 0.0 110.206 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -64.63 -39.62 94.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.822 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.95 -41.45 87.77 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.728 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.544 HG21 ' O ' ' A' ' 44' ' ' GLU . 62.5 t -62.24 -35.99 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.982 0.42 . . . . 0.0 110.582 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -58.86 -41.72 87.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.043 175.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.96 -37.8 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.456 175.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.438 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . 6.4 m-85 -58.25 -43.54 87.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 176.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.569 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 63.1 tttm -65.46 -43.09 91.44 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.14 -46.16 79.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.368 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.12 -36.82 64.21 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.92 87.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 15.8 pt-20 -93.87 5.51 51.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.53 0.681 . . . . 0.0 110.372 -177.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -127.7 15.39 6.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.14 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.88 141.6 38.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.906 -177.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -74.99 -29.07 60.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.615 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.698 ' HB2' ' HD3' ' A' ' 63' ' ' LYS . 14.1 m120 -132.98 144.6 53.51 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.345 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.81 -40.74 34.16 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.767 2.311 . . . . 0.0 112.269 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -60.31 -41.5 93.61 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.237 0.541 . . . . 0.0 110.342 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.698 ' HD3' ' HB2' ' A' ' 60' ' ' ASN . 14.1 mptt -70.34 -32.34 70.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.807 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -62.47 -42.43 99.47 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.029 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -54.36 -43.25 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.322 0.389 . . . . 0.0 110.584 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 70' ' ' ILE . 61.2 t -63.54 -51.11 74.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.802 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.38 -37.2 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.156 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.91 -40.24 94.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.838 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -60.68 -45.41 94.28 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.393 173.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 66' ' ' VAL . 81.1 mt -62.49 -39.27 83.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.402 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -56.47 -49.45 74.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.962 175.448 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.39 -41.15 93.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.155 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -63.7 -51.05 66.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -63.33 -39.94 95.95 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.947 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -58.27 -36.09 72.75 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.471 0.653 . . . . 0.0 110.338 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 29.2 ttmt -70.54 -40.69 73.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.679 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 57.3 m170 -59.83 -50.21 74.7 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.46 -37.24 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.591 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.49 -41.8 98.54 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -62.87 -46.3 88.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 110.423 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -70.42 -32.52 70.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.481 -178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.424 ' O ' ' HD2' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -69.94 -36.9 75.65 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.634 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.53 84.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.944 0.402 . . . . 0.0 110.664 177.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.271 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.461 175.679 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.124 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.67 -48.82 79.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.099 0.476 . . . . 0.0 111.484 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -70.98 -38.68 72.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.611 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.65 -42.35 82.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.517 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.53 87.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.7 m -64.19 -39.16 93.41 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.416 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.54 -47.64 84.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.314 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.4 t -62.26 -40.93 89.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.09 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -62.84 -44.95 94.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.292 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -69.31 -33.37 73.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.691 0.281 . . . . 0.0 110.828 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.447 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -66.86 -41.46 87.27 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.12 -46.52 88.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.311 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -43.81 81.22 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -45.86 83.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.671 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 55.2 mm-40 -64.27 -38.4 90.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.717 -176.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -65.56 -33.16 75.27 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.146 0.498 . . . . 0.0 110.243 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.594 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -69.3 -33.65 73.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.266 177.515 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -63.67 -43.16 97.52 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -60.24 -40.63 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.762 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 106' ' ' ARG . 40.1 mt-10 -57.37 -36.21 70.93 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.119 176.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 106' ' ' ARG . 5.3 mm-40 -71.12 -48.14 53.93 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.227 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 64.2 mt -72.55 -40.44 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -173.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 . . . . . 0 C--N 1.328 -0.367 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -174.792 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.846 0.355 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.89 -46.64 77.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.858 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.802 HD13 HG13 ' A' ' 108' ' ' VAL . 26.3 tp -65.61 -40.23 92.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.406 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -57.77 -35.78 71.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.734 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.5 92.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.879 0.371 . . . . 0.0 110.733 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.76 -45.29 83.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.487 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.25 -29.38 70.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.946 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.669 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.39 -44.23 95.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.486 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -68.1 -41.3 87.32 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.897 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.94 -40.69 81.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 110.51 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.669 ' HE3' ' HA ' ' A' ' 13' ' ' GLN . 28.5 mtmt -58.91 -46.91 86.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.578 175.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.531 HD11 ' HG3' ' A' ' 39' ' ' GLU . 86.0 mt -64.13 -44.06 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.595 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -59.23 -47.1 86.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.608 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.679 ' HG2' HD11 ' A' ' 101' ' ' LEU . 90.4 mttt -66.74 -35.05 79.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.652 0.263 . . . . 0.0 110.957 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.54 -47.08 80.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.499 HG21 ' O ' ' A' ' 17' ' ' ILE . 87.2 t -64.4 -39.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 177.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 tp -59.52 -36.0 75.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.23 0.538 . . . . 0.0 110.359 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -66.45 -49.37 66.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.818 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -59.27 -23.37 62.34 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.939 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.76 -26.27 68.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.189 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HZ1' ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -73.48 -35.79 65.71 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.457 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.18 -47.11 59.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.819 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.62 56.9 4.03 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 114.025 171.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 16.5 t70 -101.16 119.14 38.32 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 171.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.87 -44.04 94.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -171.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -71.49 -41.62 69.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.324 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 8.5 tp10 -65.78 -41.43 92.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 64.8 mt -60.18 -43.14 96.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 111.167 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 37' ' ' ASN . . . -67.16 -35.65 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.36 0.6 . . . . 0.0 110.508 178.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.404 HH21 ' CD ' ' A' ' 32' ' ' GLU . 22.4 ttp180 -69.2 -39.42 78.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.57 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 92.2 mt -63.58 -33.44 75.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.761 175.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 34' ' ' ALA . 8.7 t30 -56.33 -43.45 79.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.629 176.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -41.36 83.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.771 176.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.531 ' HG3' HD11 ' A' ' 17' ' ' ILE . 9.4 tp10 -62.34 -41.09 98.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.673 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.7 mt -61.89 -50.32 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.694 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.64 -37.17 78.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.401 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -57.62 -46.9 83.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.644 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.79 -44.76 72.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.5 mm-40 -58.86 -46.51 87.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.47 -38.7 92.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.769 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.36 -40.68 93.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.168 0.508 . . . . 0.0 109.737 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.45 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -60.74 -46.96 93.45 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.21 176.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 44' ' ' GLU . 89.5 t -59.97 -40.3 82.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.982 0.42 . . . . 0.0 110.532 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -54.83 -47.68 73.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.505 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.0 t -72.28 -42.35 65.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.325 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.45 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 12.5 m-85 -61.33 -36.28 79.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.416 0.151 . . . . 0.0 111.219 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -59.87 -45.64 91.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.22 0.533 . . . . 0.0 109.831 174.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -63.27 -43.71 97.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.956 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.15 90.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.6 -37.68 87.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.936 0.398 . . . . 0.0 111.049 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -80.37 -20.12 44.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.601 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -78.16 -39.22 41.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.791 173.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.81 108.77 0.34 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.269 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -89.43 12.34 16.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.072 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -139.62 126.32 12.46 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 174.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -60.32 -26.68 83.25 Favored 'Trans proline' 0 N--CA 1.473 0.323 0 C-N-CA 123.484 2.789 . . . . 0.0 114.692 -169.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -60.89 -47.74 85.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 111.5 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.476 ' O ' HG13 ' A' ' 67' ' ' ILE . 56.8 mtmt -77.63 -26.7 50.72 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.457 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -66.42 -36.9 83.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.15 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.08 -39.54 94.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.196 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.65 -42.96 96.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.038 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 63' ' ' LYS . 87.0 mt -62.32 -45.02 99.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.037 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.09 -41.3 96.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.223 0.535 . . . . 0.0 110.519 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.37 -45.56 88.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.504 176.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 78.3 mt -68.05 -39.11 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.765 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.69 -45.52 81.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.019 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.41 -45.09 92.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.478 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -66.11 -38.77 89.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.656 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 35.1 mm-40 -68.1 -43.21 78.96 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.415 177.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 10.6 mm-40 -61.02 -35.08 75.92 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.698 0.761 . . . . 0.0 110.275 173.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.506 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 28.0 ttmt -63.68 -43.08 97.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.949 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -60.77 -46.05 91.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.356 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.526 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 68.2 mt -58.59 -41.73 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.372 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.44 -41.91 90.71 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.311 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -61.01 -44.97 96.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.311 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -68.05 -34.03 75.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.16 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 78' ' ' ILE . 33.9 mmtp -60.07 -50.85 72.07 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.947 0.403 . . . . 0.0 110.335 176.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.19 80.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.42 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 178.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -60.67 -50.37 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.993 0.425 . . . . 0.0 111.581 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -67.41 -34.11 76.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.687 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.402 ' O ' HG22 ' A' ' 97' ' ' VAL . 37.2 t80 -72.29 -44.01 63.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.966 -173.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.69 88.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.026 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 m -70.69 -40.8 72.67 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.63 -47.93 84.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.164 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 93' ' ' PHE . 98.7 t -62.46 -41.79 93.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.203 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.77 -45.68 85.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.967 -177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.68 -44.4 86.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -58.86 -38.45 78.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.966 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.679 HD11 ' HG2' ' A' ' 19' ' ' LYS . 4.5 tt -59.52 -48.43 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.124 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.696 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -64.56 -40.04 94.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.229 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.88 -49.44 77.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.371 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -63.9 -38.24 90.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.99 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -62.07 -32.81 73.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.348 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.569 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 1.7 tpm_? -67.45 -40.53 85.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.329 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -60.37 -49.01 79.3 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.14 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.802 HG13 HD13 ' A' ' 8' ' ' LEU . 95.3 t -58.45 -43.63 87.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.435 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.19 -42.89 82.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.277 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -60.7 -46.14 91.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.029 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.7 -46.38 94.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.465 -178.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 . . . . . 0 N--CA 1.452 -0.366 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.678 -177.479 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.629 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 11.5 mm-40 . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.992 0.425 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 51' ' ' TYR . 22.3 tp -69.89 -49.45 52.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.597 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.2 tp -63.3 -45.6 90.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.476 -175.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.629 ' HE3' ' HA ' ' A' ' 6' ' ' GLU . 17.7 ptpt -62.4 -35.26 78.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.704 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.65 81.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.361 . . . . 0.0 110.744 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.95 -46.73 83.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.437 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.89 -30.37 71.37 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.383 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -63.46 -43.87 96.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.088 0.47 . . . . 0.0 110.608 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.511 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -64.35 -40.76 98.11 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.968 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.91 -43.36 88.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.931 0.396 . . . . 0.0 110.544 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -59.91 -45.3 92.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.972 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.437 ' O ' HG21 ' A' ' 21' ' ' VAL . 80.5 mt -61.69 -45.08 99.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.966 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.9 mt -60.52 -42.18 95.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.294 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -62.92 -41.0 99.3 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.564 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.566 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -61.85 -49.23 77.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.59 178.051 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.464 HG22 HD11 ' A' ' 36' ' ' LEU . 73.9 t -66.71 -40.01 85.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.245 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.97 -41.4 91.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.379 0.609 . . . . 0.0 110.203 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 22.6 ttpt -60.93 -50.28 74.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.982 0.896 . . . . 0.0 110.206 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 44.2 mtpt -71.53 -23.74 61.82 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.061 -175.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -70.19 -25.77 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.249 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 47.7 mtmt -64.97 -29.58 70.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.992 0.425 . . . . 0.0 110.671 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -78.39 -46.71 19.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.038 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.65 49.29 3.67 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.88 172.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 10.1 t70 -91.66 120.51 32.49 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 171.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.31 -50.68 69.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.375 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -64.27 -37.98 89.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.8 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.542 ' HB3' ' HB3' ' A' ' 29' ' ' ASP . 9.9 tp10 -61.03 -48.94 79.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.427 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 25' ' ' ALA . 83.1 mt -62.08 -41.29 98.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.103 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.71 76.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.243 0.544 . . . . 0.0 110.577 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -68.93 -47.42 65.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.871 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 HD11 HG22 ' A' ' 21' ' ' VAL . 97.0 mt -65.14 -35.14 80.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.302 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' O ' HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -55.32 -43.94 75.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.302 -179.788 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -63.86 -38.74 92.22 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.411 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.99 -39.45 75.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.419 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -62.35 -47.64 92.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.623 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 37' ' ' ASN . 95.1 t -59.32 -46.05 92.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.929 -178.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.19 -39.77 93.31 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.957 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.67 -47.42 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.591 0.234 . . . . 0.0 111.087 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' HG21 ' A' ' 48' ' ' VAL . 10.2 mm-40 -63.37 -44.98 93.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -58.74 -44.61 90.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.962 0.41 . . . . 0.0 110.727 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.478 ' O ' HG23 ' A' ' 50' ' ' VAL . 54.5 tp60 -66.22 -47.0 75.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.321 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.65 -45.95 94.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.499 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 44' ' ' GLU . 69.0 t -60.24 -38.95 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.711 0.291 . . . . 0.0 110.825 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.631 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 62.0 tttm -61.58 -46.47 89.73 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 46' ' ' GLN . 77.0 t -59.87 -41.52 86.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 123.246 0.341 . . . . 0.0 110.989 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.436 ' CD1' HD13 ' A' ' 7' ' ' LEU . 30.5 m-85 -58.4 -46.16 86.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.791 0.329 . . . . 0.0 110.42 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -67.98 -33.95 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.974 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.631 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 58.7 mm-40 -58.47 -50.14 74.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.154 0.502 . . . . 0.0 109.933 175.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.24 -33.74 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.568 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.46 78.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.677 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -79.97 -8.13 59.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.2 0.524 . . . . 0.0 111.028 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -113.41 7.46 17.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.124 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.14 137.28 53.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.496 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.466 ' N ' ' HD3' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -95.08 -20.65 19.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.146 -178.556 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.442 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 4.4 t-20 -115.38 113.47 43.21 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.123 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 11.4 Cg_endo -55.68 -33.76 88.43 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.103 2.535 . . . . 0.0 112.711 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.3 mp0 -62.77 -44.67 95.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 178.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.5 -29.26 61.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.55 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -63.73 -37.77 88.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.907 177.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -66.14 -39.3 89.74 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.606 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 62' ' ' GLU . 64.0 t -59.85 -45.54 94.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.99 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.94 -44.55 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.342 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.19 -42.9 96.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.082 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -59.39 -45.92 90.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.435 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.76 -39.25 84.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.181 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.99 -41.35 82.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.803 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.77 -45.87 88.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.587 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -67.84 -39.77 83.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.175 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.468 ' O ' HG13 ' A' ' 78' ' ' ILE . 16.0 mm-40 -65.93 -41.52 91.24 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.25 176.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -57.57 -41.83 81.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.637 0.732 . . . . 0.0 109.958 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.45 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 28.0 ttmt -60.84 -45.62 93.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.321 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 48.1 m170 -60.84 -42.17 97.26 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.427 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.9 mt -59.4 -45.93 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.551 177.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.8 -41.16 99.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.059 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -59.84 -45.33 92.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.955 0.407 . . . . 0.0 110.195 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -69.48 -30.0 67.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.621 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -59.57 -47.49 85.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.711 0.291 . . . . 0.0 110.894 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.32 -35.61 68.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.934 0.397 . . . . 0.0 111.521 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -175.294 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -61.87 -47.63 84.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.855 0.359 . . . . 0.0 111.068 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -71.49 -39.45 70.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.269 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -64.25 -43.9 93.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.931 0.396 . . . . 0.0 110.183 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.13 87.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.66 177.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.0 m -65.84 -41.05 92.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.706 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.0 -47.92 81.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.458 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.3 t -66.17 -38.42 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.064 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.46 -46.47 89.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.898 0.38 . . . . 0.0 110.832 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -38.35 77.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.453 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.4 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 22.5 t-160 -62.64 -43.59 98.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.322 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.3 tt -57.44 -49.23 76.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.423 -178.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -61.46 -36.77 81.33 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.731 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.493 ' HA ' ' HD3' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -67.79 -39.62 84.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.867 0.365 . . . . 0.0 110.769 -179.477 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.454 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 38.9 mm-40 -66.87 -32.36 73.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.02 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 95.9 mt-30 -60.61 -40.95 93.73 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.087 175.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.493 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 61.7 mtp180 -62.43 -34.46 76.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.93 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.452 ' O ' HG13 ' A' ' 111' ' ' ILE . 57.0 m170 -65.52 -46.44 79.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.62 -41.68 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.939 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 44.7 mm-40 -56.56 -44.28 80.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.711 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -67.58 -39.17 84.87 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.814 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 107' ' ' HIS . 80.3 mt -66.0 -47.55 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.651 0.262 . . . . 0.0 111.179 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 111.431 -178.858 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.948 0.404 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.1 tp -67.94 -43.74 78.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.795 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.61 HD11 HG13 ' A' ' 108' ' ' VAL . 50.5 tp -59.78 -46.92 87.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.269 176.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 47.5 mtpt -57.77 -35.67 71.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.454 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.75 92.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.73 0.3 . . . . 0.0 110.763 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -64.17 -44.82 90.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.557 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 96.4 mt-30 -59.69 -42.11 92.26 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.484 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 17' ' ' ILE . 28.5 tt0 -63.15 -42.41 99.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.496 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.503 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.02 -42.84 99.54 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.971 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.28 -41.58 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 110.297 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -55.37 -47.51 75.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.374 0.607 . . . . 0.0 109.923 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.581 ' O ' HG21 ' A' ' 21' ' ' VAL . 82.9 mt -60.59 -47.23 93.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.959 177.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.572 HD21 HG11 ' A' ' 97' ' ' VAL . 94.8 mt -58.42 -39.58 80.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -62.62 -45.69 91.69 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.231 0.539 . . . . 0.0 110.534 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -43.48 98.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.704 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.581 HG21 ' O ' ' A' ' 17' ' ' ILE . 58.0 t -67.81 -43.53 86.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.173 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.38 -37.09 79.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 110.321 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.19 -51.43 53.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.977 176.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -66.73 -22.4 66.06 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.692 -1.14 . . . . 0.0 112.808 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -26.18 66.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.984 0.421 . . . . 0.0 110.665 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' ' 26' ' ' LYS . 29.6 mmmt -70.6 -28.56 64.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.087 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.8 -37.28 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.287 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.95 24.43 57.88 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.721 173.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.8 t70 -94.02 123.69 37.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.102 0.451 . . . . 0.0 110.328 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.03 -38.42 79.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.547 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -62.88 -44.55 95.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.569 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.4 tp10 -60.64 -47.58 85.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.407 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 96.8 mt -62.05 -40.28 95.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.31 -34.19 77.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.128 0.49 . . . . 0.0 110.6 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -45.72 71.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.666 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 21' ' ' VAL . 82.8 mt -62.86 -43.2 99.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.031 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -56.83 -46.34 81.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.509 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -41.37 79.57 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.924 176.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.66 -41.31 83.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.743 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.495 HD13 HG23 ' A' ' 21' ' ' VAL . 74.3 mt -61.66 -50.23 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.696 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.04 -37.31 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.184 0.516 . . . . 0.0 110.282 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -62.79 -46.85 86.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.188 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.22 73.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.315 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' HG21 ' A' ' 48' ' ' VAL . 13.8 mm-40 -59.45 -45.67 90.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.55 -39.68 95.03 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.75 0.31 . . . . 0.0 110.657 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -61.73 -45.66 92.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.857 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.48 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -58.93 -39.55 94.21 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.235 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 44' ' ' GLU . 53.2 t -55.92 -41.83 68.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.667 0.27 . . . . 0.0 111.259 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 82.4 tttt -65.68 -39.41 91.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.84 -38.21 82.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.513 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.825 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 45.7 m-85 -66.58 -36.73 83.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 175.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 55.6 tttp -57.47 -47.23 82.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.145 0.498 . . . . 0.0 110.029 173.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.53 -49.58 75.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.256 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.87 -34.37 76.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.758 -177.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.44 -37.81 83.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.817 0.341 . . . . 0.0 111.34 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 70.6 mt-10 -82.96 -32.59 27.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.2 0.524 . . . . 0.0 110.176 -178.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -89.53 12.21 17.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.859 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.56 104.75 4.63 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.565 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -70.17 -42.51 72.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.686 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -91.59 121.81 66.73 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.202 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -64.4 -31.78 61.46 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.141 2.561 . . . . 0.0 113.481 -175.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -63.2 -43.72 97.37 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.94 0.4 . . . . 0.0 110.548 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.49 -33.92 77.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.344 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -60.71 -43.58 97.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -66.03 -40.69 91.25 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.733 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 70' ' ' ILE . 62.1 t -59.68 -46.65 93.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.024 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.77 -41.13 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.855 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.85 -43.82 97.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.18 -44.96 95.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.954 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 66' ' ' VAL . 62.1 mt -64.97 -36.15 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.883 0.373 . . . . 0.0 110.26 178.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.825 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -55.31 -40.51 71.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.883 174.331 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.82 -45.12 79.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.834 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.612 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 68.8 m-20 -57.56 -45.95 84.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.713 -178.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -69.29 -41.31 76.98 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.308 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -59.84 -41.47 91.46 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.612 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 14.5 ttmm -57.63 -41.02 80.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.629 177.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -63.47 -35.46 80.54 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.772 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.08 -45.38 94.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.932 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 21.3 mm-40 -59.58 -39.8 85.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.694 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.478 ' HB3' HD11 ' A' ' 96' ' ' LEU . 52.2 m0 -59.98 -44.78 94.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.989 0.423 . . . . 0.0 110.02 175.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -69.64 -28.55 66.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.732 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 5.2 mmmm -57.69 -46.02 84.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.993 0.425 . . . . 0.0 109.911 174.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.4 -32.44 66.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.251 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.898 -179.435 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -61.35 -48.75 79.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.342 0.591 . . . . 0.0 110.58 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -66.93 -42.1 85.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.895 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -63.27 -42.95 99.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.569 -175.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.01 -39.61 95.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.601 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 t -67.9 -36.7 80.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.159 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 80' ' ' TRP . 51.5 tp -66.07 -46.79 76.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.657 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.572 HG11 HD21 ' A' ' 18' ' ' LEU . 71.0 t -61.51 -37.6 78.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.767 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.22 -40.94 98.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.705 176.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -67.06 -45.57 76.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.505 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 17.6 t-160 -60.17 -36.45 77.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.815 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.3 -49.49 76.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.297 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.48 -43.53 93.86 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 120.78 0.324 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -51.26 67.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.179 177.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.541 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 10.6 mm-40 -70.59 -36.01 73.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.573 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 18.1 mt-30 -60.45 -42.58 96.44 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.829 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -64.2 -39.57 94.27 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.986 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.424 ' O ' HG13 ' A' ' 111' ' ' ILE . 53.1 m170 -58.97 -44.86 91.61 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.61 HG13 HD11 ' A' ' 8' ' ' LEU . 68.0 t -62.97 -42.33 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.335 175.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 5.2 mm-40 -57.25 -45.08 84.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.198 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -40.57 78.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.2 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 107' ' ' HIS . 81.2 mt -66.06 -41.12 88.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.218 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 120.919 0.39 . . . . 0.0 111.397 178.299 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.784 0.326 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.87 -38.98 83.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.292 0.568 . . . . 0.0 110.179 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 108' ' ' VAL . 26.0 tp -60.88 -40.5 93.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.916 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -58.66 -35.96 73.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.601 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.35 85.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.609 0.242 . . . . 0.0 110.933 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.0 -42.81 99.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.163 0.506 . . . . 0.0 110.085 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.395 175.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -62.28 -40.01 94.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.426 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -65.58 -41.29 96.18 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.328 175.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.471 HG21 HD12 ' A' ' 101' ' ' LEU . 79.4 mt -59.04 -40.52 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.828 0.347 . . . . 0.0 110.392 175.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -60.17 -42.7 95.54 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.528 ' O ' HG22 ' A' ' 21' ' ' VAL . 76.2 mt -66.33 -46.03 88.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.549 176.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -59.74 -38.45 81.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.877 178.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -64.0 -42.88 97.03 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.07 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' CD ' ' HZ3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -59.51 -45.5 91.56 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.472 177.299 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 17' ' ' ILE . 42.8 t -66.7 -39.45 83.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.896 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.08 -36.12 82.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.561 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -64.83 -52.12 58.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.847 0.832 . . . . 0.0 109.875 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.452 ' HZ3' ' CD ' ' A' ' 20' ' ' GLU . 49.9 mttp -66.77 -21.7 66.05 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.204 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.04 -33.79 69.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.069 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -68.11 -28.29 67.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.96 0.409 . . . . 0.0 110.819 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.56 -43.49 38.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.8 26.56 71.01 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.46 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.465 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 14.8 t70 -72.81 120.82 18.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.997 0.427 . . . . 0.0 110.494 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -62.37 -41.11 98.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.591 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -68.67 -44.44 74.06 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.384 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -62.31 -49.2 76.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.868 178.36 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 84.9 mt -60.48 -37.12 80.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.575 -176.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.62 99.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.426 ' HA ' ' HD2' ' A' ' 35' ' ' ARG . 16.5 tpt180 -68.24 -44.11 76.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.49 . . . . 0.0 110.192 177.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 40' ' ' ILE . 94.7 mt -58.26 -44.64 88.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.611 -178.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -57.93 -47.72 82.06 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -39.67 92.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.042 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.99 -41.16 95.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.528 HD11 HG21 ' A' ' 21' ' ' VAL . 80.5 mt -60.01 -50.31 80.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 78' ' ' ILE . 76.5 t -58.55 -43.95 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.719 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.401 ' HZ3' ' HB3' ' A' ' 42' ' ' LYS . 2.5 ttpm? -62.98 -39.93 96.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.5 -47.81 71.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.456 ' O ' HG22 ' A' ' 48' ' ' VAL . 6.8 mm-40 -60.07 -42.39 94.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.342 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -58.84 -44.62 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.791 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -66.28 -42.61 88.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.265 0.555 . . . . 0.0 110.158 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -41.64 98.12 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.091 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.491 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 44.7 t -57.1 -44.4 83.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 C-N-CA 122.33 0.252 . . . . 0.0 111.124 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.53 ' HE3' ' HG2' ' A' ' 53' ' ' GLU . 2.8 tptt -56.17 -47.87 77.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.04 -38.66 81.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.614 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 3.0 m-85 -61.13 -43.3 99.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.664 175.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 73.2 mmtt -56.9 -43.89 81.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 177.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.53 ' HG2' ' HE3' ' A' ' 49' ' ' LYS . 53.8 mm-40 -68.28 -48.55 64.69 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.026 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.58 -33.68 71.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.843 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.49 -38.61 69.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.582 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -88.92 -9.68 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 0.0 110.996 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.768 ' HE2' ' HA ' ' A' ' 57' ' ' LYS . 10.2 mmpt? -79.22 -18.9 52.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.253 0.549 . . . . 0.0 109.786 174.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.15 105.71 3.02 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.849 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -69.28 -29.99 67.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.631 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -98.11 130.34 28.79 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.593 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.34 -34.53 97.71 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.301 2.667 . . . . 0.0 112.797 -177.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.06 -42.57 84.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.213 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.52 -37.82 88.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.123 0.487 . . . . 0.0 110.031 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -64.0 -37.02 85.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.719 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.7 -44.52 96.78 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.443 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 70' ' ' ILE . 57.2 t -61.46 -48.56 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.456 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.18 -45.19 99.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.021 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.18 -46.0 89.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.074 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 69' ' ' LYS . 21.6 mtpp -59.98 -46.66 88.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.628 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 66' ' ' VAL . 68.7 mt -61.26 -39.93 84.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.189 0.518 . . . . 0.0 110.1 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.624 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 2.1 mt -57.33 -45.45 84.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.984 176.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.58 -43.32 99.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.016 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.16 -43.04 96.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.424 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.25 -37.97 89.39 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.515 0.198 . . . . 0.0 110.544 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 61.3 mm-40 -57.44 -40.98 79.59 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.378 0.609 . . . . 0.0 109.96 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -69.46 -38.17 77.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.451 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -57.07 -50.39 72.92 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.204 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.57 HG21 ' HE3' ' A' ' 82' ' ' LYS . 56.4 mt -60.39 -39.17 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.663 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.58 -40.98 96.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.078 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -59.97 -44.87 94.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.031 0.444 . . . . 0.0 110.742 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -69.38 -30.56 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.65 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.57 ' HE3' HG21 ' A' ' 78' ' ' ILE . 97.3 mttt -59.62 -47.47 85.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 0.0 110.23 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.91 95.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.999 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.115 179.398 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.115 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.45 -48.47 80.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.795 0.331 . . . . 0.0 111.707 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -70.17 -37.03 75.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.923 0.392 . . . . 0.0 110.663 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 97' ' ' VAL . 58.0 t80 -63.76 -46.57 84.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.129 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.08 -35.67 75.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.993 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.8 t -70.35 -38.35 74.8 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.44 -47.48 83.87 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.475 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 93' ' ' PHE . 89.6 t -57.85 -43.87 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.534 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 52.6 tt0 -63.83 -43.25 96.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.974 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.51 -44.18 96.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.967 0.413 . . . . 0.0 110.494 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -60.16 -43.28 95.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.928 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.651 ' HG ' HE21 ' A' ' 105' ' ' GLN . 52.0 tp -57.57 -43.08 84.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.338 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 18.2 mm-40 -57.42 -43.42 83.77 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.553 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -69.09 -47.19 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.511 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -60.58 -33.1 72.22 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.95 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.651 HE21 ' HG ' ' A' ' 101' ' ' LEU . 76.0 mt-30 -60.97 -49.55 77.01 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.105 0.479 . . . . 0.0 110.381 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -67.11 -31.42 71.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.666 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -56.96 -50.8 71.54 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 173.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.593 ' O ' ' HB2' ' A' ' 112' ' ' GLU . 92.5 t -60.23 -46.13 95.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.415 178.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.73 -35.3 74.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.262 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -71.85 -49.35 39.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.486 ' HB ' HD12 ' A' ' 8' ' ' LEU . 64.8 mt -71.18 -35.31 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.715 -175.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.593 ' HB2' ' O ' ' A' ' 108' ' ' VAL . 1.8 tm-20 . . . . . 0 C--N 1.329 -0.326 0 C-N-CA 123.411 0.684 . . . . 0.0 112.453 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 121.08 0.467 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.47 ' HG ' ' CZ ' ' A' ' 51' ' ' TYR . 7.7 tp -69.89 -49.65 50.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.719 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.679 HD11 HG12 ' A' ' 108' ' ' VAL . 24.1 tp -64.63 -46.61 81.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.474 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 8.7 mtpm? -59.28 -34.19 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.944 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.49 84.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.992 0.425 . . . . 0.0 110.643 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.569 ' HG2' ' HH ' ' A' ' 51' ' ' TYR . 6.0 mm-40 -70.4 -45.33 66.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.66 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -60.08 -34.22 73.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.322 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -61.17 -44.13 97.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.027 0.441 . . . . 0.0 109.941 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.593 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -71.18 -40.18 61.73 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.946 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 11' ' ' GLU . 67.9 mt -58.35 -43.52 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.758 0.314 . . . . 0.0 110.766 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -59.16 -45.77 90.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.648 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 21' ' ' VAL . 87.7 mt -64.5 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.062 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 91.4 mt -63.78 -39.37 94.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.909 0.385 . . . . 0.0 110.569 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -66.58 -37.67 85.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.436 174.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 17' ' ' ILE . 41.7 mm-40 -59.68 -48.0 83.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.879 176.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 17' ' ' ILE . 59.8 t -64.52 -42.71 95.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.68 -37.63 87.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.103 0.478 . . . . 0.0 110.735 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -70.17 -51.35 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.906 0.86 . . . . 0.0 109.85 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HD3' ' CG ' ' A' ' 32' ' ' GLU . 67.3 mttm -64.14 -21.68 66.64 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.257 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.51 -25.97 68.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.673 0.273 . . . . 0.0 110.745 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.734 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 11.2 mmpt? -71.72 -29.48 64.59 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.172 0.51 . . . . 0.0 109.831 176.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.9 -46.36 45.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.513 174.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.04 63.71 3.05 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.353 -0.839 . . . . 0.0 113.5 172.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.8 t70 -123.9 133.79 53.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.604 -0.351 . . . . 0.0 110.558 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.21 -39.25 89.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.629 -176.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -66.61 -45.08 80.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.453 0.644 . . . . 0.0 109.58 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.4 tp10 -60.3 -49.54 77.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.606 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 91.8 mt -63.59 -38.21 90.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.18 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.96 99.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.59 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -65.61 -40.14 92.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.956 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.505 HD12 HG21 ' A' ' 21' ' ' VAL . 90.5 mt -64.13 -41.39 97.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.777 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -58.11 -45.73 86.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -59.13 -42.07 89.77 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.815 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HG3' HD11 ' A' ' 17' ' ' ILE . 9.2 tp10 -64.76 -39.89 94.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.702 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 36' ' ' LEU . 82.1 mt -61.26 -50.66 79.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-O 120.96 0.41 . . . . 0.0 110.777 177.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.66 -42.73 95.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.804 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -64.28 -47.91 77.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.511 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.88 -49.85 41.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.575 ' O ' HG21 ' A' ' 48' ' ' VAL . 14.6 tt0 -70.73 -42.92 69.9 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.359 -172.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HE3' HD12 ' A' ' 78' ' ' ILE . 22.0 ttmt -60.91 -36.87 80.4 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.714 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -61.3 -46.09 91.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.14 -37.01 94.23 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.572 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.575 HG21 ' O ' ' A' ' 44' ' ' GLU . 88.8 t -56.93 -41.53 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 tmtt? -65.14 -45.59 84.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.24 -43.1 92.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.477 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.569 ' HH ' ' HG2' ' A' ' 11' ' ' GLU . 9.3 m-85 -61.68 -43.18 99.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 176.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -63.41 -40.6 97.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.161 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 19.4 mm-40 -62.1 -45.5 93.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.833 175.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.05 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.487 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.13 -41.43 83.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 0.0 110.82 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.72 -0.13 49.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.736 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -109.4 -16.22 14.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.597 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.4 -20.99 59.85 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.23 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 70.61 -70.53 0.15 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.448 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 48.5 t30 -66.52 123.26 85.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.768 -175.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 9.1 Cg_endo -51.27 -25.82 18.82 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 124.026 3.151 . . . . 0.0 113.704 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 66' ' ' VAL . 26.0 tt0 -64.29 -46.0 85.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.269 0.556 . . . . 0.0 110.6 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.85 -31.19 63.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.429 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -62.79 -43.01 99.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.289 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -67.35 -37.12 82.74 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 62' ' ' GLU . 89.2 t -60.25 -47.54 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 110.129 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 71.6 mt -68.0 -38.55 80.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.485 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.63 -44.89 85.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.429 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -60.09 -44.81 94.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.073 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.641 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 62.1 mt -63.79 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.074 0.464 . . . . 0.0 109.896 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.97 -50.15 73.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.713 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.618 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 11.9 tt0 -57.31 -44.93 84.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.457 0.473 . . . . 0.0 111.149 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -69.09 -37.02 78.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.695 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 21.9 mm-40 -67.78 -38.39 83.3 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.261 177.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.618 ' OE1' ' HA ' ' A' ' 72' ' ' GLU . 3.0 mt-10 -57.3 -40.81 78.64 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.741 0.781 . . . . 0.0 109.724 171.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.511 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 28.3 ttmt -68.76 -40.05 79.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.217 -177.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -61.73 -39.42 91.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.454 HD12 ' HE3' ' A' ' 45' ' ' LYS . 69.4 mt -64.15 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.367 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 46.4 mt-10 -59.69 -41.19 90.16 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.985 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -63.5 -45.29 91.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.997 0.427 . . . . 0.0 111.066 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -67.98 -29.62 68.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.896 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 90.4 mttt -59.41 -42.68 92.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.902 0.382 . . . . 0.0 110.334 175.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.21 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.771 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.245 179.675 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.637 0.256 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -40.93 96.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.212 0.53 . . . . 0.0 110.136 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -68.4 -38.7 81.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.627 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -64.83 -45.45 86.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.159 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.27 90.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.704 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 62.5 m -64.13 -37.89 89.09 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.998 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.88 -47.12 72.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.1 0.476 . . . . 0.0 110.451 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.5 HG21 HG11 ' A' ' 21' ' ' VAL . 70.7 t -61.0 -39.42 82.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.186 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.91 -44.41 94.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 0.0 110.561 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -67.33 -40.78 85.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.392 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -60.65 -41.04 94.19 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.845 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.455 ' HA ' HD11 ' A' ' 18' ' ' LEU . 62.2 tp -58.58 -47.42 84.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.149 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -60.85 -38.73 86.54 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.31 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.63 -50.73 68.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.079 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -64.53 -37.47 87.65 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.295 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.42 -44.89 95.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -67.87 -32.85 73.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.34 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -58.01 -51.81 68.1 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.005 0.431 . . . . 0.0 110.377 175.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.679 HG12 HD11 ' A' ' 8' ' ' LEU . 87.3 t -64.57 -38.6 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.957 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.41 -35.82 70.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.444 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.12 -40.54 71.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.992 0.425 . . . . 0.0 110.569 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.06 -36.75 77.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.27 0.557 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.948 -179.487 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.753 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 53.2 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.665 0.269 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 tp -69.96 -43.31 71.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.968 0.413 . . . . 0.0 110.531 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.682 HD11 HG12 ' A' ' 108' ' ' VAL . 15.9 tp -63.97 -30.17 71.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.428 -178.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.753 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 50.8 mtpt -55.93 -35.69 66.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.511 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.85 87.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.79 0.328 . . . . 0.0 110.651 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -67.97 -43.72 78.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.251 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 89.1 mt-30 -62.26 -39.24 92.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.076 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 17' ' ' ILE . 55.6 tp60 -61.01 -44.54 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.987 0.422 . . . . 0.0 110.233 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.465 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.73 -46.43 75.42 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.975 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.7 mt -58.95 -43.4 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.826 0.346 . . . . 0.0 110.536 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -59.44 -46.48 88.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.909 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.442 HD11 ' HB2' ' A' ' 43' ' ' ALA . 74.6 mt -59.39 -47.84 89.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.611 176.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.1 mt -57.97 -43.8 86.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 111.184 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -61.32 -46.12 91.61 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.923 0.392 . . . . 0.0 110.814 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -44.5 90.57 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.645 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.541 HG21 HD23 ' A' ' 36' ' ' LEU . 39.6 t -60.12 -42.73 91.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.461 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.15 -43.42 92.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.011 0.434 . . . . 0.0 110.5 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 10.5 tmtt? -71.47 -46.93 58.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.634 0.73 . . . . 0.0 109.835 176.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.915 ' HG2' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -58.16 -37.45 74.73 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.924 -174.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.82 -25.66 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.943 0.401 . . . . 0.0 111.59 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mmtt -62.76 -27.77 69.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.365 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.43 -82.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -175.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.22 -31.22 7.72 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.51 -0.852 . . . . 0.0 113.994 -166.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.406 ' OD1' ' HB1' ' A' ' 90' ' ' ALA . 22.8 t70 68.68 149.64 0.07 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.788 0.435 . . . . 0.0 112.113 -177.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 58.0 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.115 0.966 . . . . 0.0 113.086 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -58.17 -39.98 80.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.24 0.543 . . . . 0.0 110.718 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.9 tp10 -66.47 -38.45 87.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.143 177.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.492 HD21 ' CD2' ' A' ' 93' ' ' PHE . 78.5 mt -62.32 -37.02 83.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.262 -177.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.55 -46.7 80.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.357 . . . . 0.0 111.129 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -62.1 -50.82 70.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.565 0.697 . . . . 0.0 110.474 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.915 HD21 ' HG2' ' A' ' 24' ' ' LYS . 80.1 mt -61.05 -42.86 99.27 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.537 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.419 HD21 ' HE1' ' A' ' 93' ' ' PHE . 25.2 t-20 -56.06 -48.27 76.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.673 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -45.82 90.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.279 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -66.11 -34.76 78.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.937 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 36' ' ' LEU . 80.4 mt -64.46 -48.88 83.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.951 0.405 . . . . 0.0 110.23 176.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.6 t -61.64 -37.55 78.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.415 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.437 ' C ' ' HD3' ' A' ' 42' ' ' LYS . 1.3 tmtp? -58.89 -46.4 87.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.436 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.442 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -61.96 -47.03 86.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.171 -178.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -61.29 -48.52 80.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.698 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -60.01 -39.63 86.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.403 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.81 -46.82 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.449 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.483 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -65.64 -45.66 88.14 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.962 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 44' ' ' GLU . 68.9 t -56.34 -38.57 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 120.674 0.274 . . . . 0.0 111.502 -176.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -64.85 -39.75 94.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.703 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.91 -41.59 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.651 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.483 ' HD2' ' O ' ' A' ' 47' ' ' GLY . 64.6 m-85 -67.53 -34.66 77.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -45.4 88.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -39.38 91.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.876 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.89 75.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.351 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.23 -37.37 87.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.11 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.52 -8.72 58.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -109.35 3.79 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.685 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.02 104.08 1.67 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.25 -176.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -70.1 -51.61 30.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.304 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -84.84 129.36 56.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.868 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.58 -32.97 96.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.75 2.3 . . . . 0.0 111.423 176.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.08 -43.06 93.4 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.669 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.25 -36.33 81.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.296 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -61.57 -37.67 84.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.435 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -46.08 92.19 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.791 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.06 -46.48 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.562 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.4 -46.7 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.744 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.75 -43.29 94.33 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.945 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -58.95 -45.77 89.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.315 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.445 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 79.3 mt -67.86 -39.33 81.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.427 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.73 -46.79 81.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -68.44 -45.03 73.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.538 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.581 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 2.0 m-20 -60.23 -40.13 89.12 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.78 -177.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 25.3 mm-40 -73.11 -34.6 66.25 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.363 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -40.52 82.9 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.758 0.79 . . . . 0.0 109.167 171.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.581 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 21.4 ttmt -57.22 -40.47 77.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.274 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -74.7 -39.77 61.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.163 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 74' ' ' GLU . 78.1 mt -57.11 -43.62 81.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.926 0.393 . . . . 0.0 110.052 176.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.3 -50.62 70.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.48 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.47 ' HB3' HD11 ' A' ' 96' ' ' LEU . 51.2 m0 -60.79 -47.36 86.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.135 0.493 . . . . 0.0 111.358 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -71.3 -30.91 66.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.859 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -68.03 -35.71 78.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.023 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.89 -34.6 76.97 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.068 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.916 176.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.406 ' HB1' ' OD1' ' A' ' 29' ' ' ASP . . . . . . . . 0 N--CA 1.468 0.433 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -60.65 -50.13 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.643 0.735 . . . . 0.0 110.199 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -72.44 -43.31 63.97 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.073 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.492 ' CD2' HD21 ' A' ' 33' ' ' LEU . 38.0 t80 -67.07 -46.31 74.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.434 -172.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.59 83.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 110.715 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -69.21 -39.12 78.78 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.14 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' ' 80' ' ' TRP . 48.7 tp -61.01 -46.19 91.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.856 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 93' ' ' PHE . 95.5 t -57.42 -41.65 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.01 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -64.91 -45.63 85.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -67.04 -36.63 82.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -65.87 -46.08 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.936 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -38.03 74.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.509 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.42 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 0.4 OUTLIER -62.06 -44.6 96.34 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 178.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.653 ' HA ' ' HD2' ' A' ' 106' ' ' ARG . 0.5 OUTLIER -67.64 -39.3 84.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.803 -177.304 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -65.77 -37.16 85.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.968 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.05 -33.69 76.33 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.805 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.653 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 95.6 mtt180 -65.5 -41.36 93.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.849 176.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.486 ' O ' HG13 ' A' ' 111' ' ' ILE . 61.4 m170 -58.87 -50.82 72.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.106 177.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.682 HG12 HD11 ' A' ' 8' ' ' LEU . 61.1 t -58.92 -46.01 91.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.105 0.479 . . . . 0.0 110.386 177.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.24 -40.56 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.607 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -71.59 -37.46 70.98 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 107' ' ' HIS . 78.8 mt -72.36 -49.49 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -176.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 . . . . . 0 C--O 1.233 0.228 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -170.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.858 0.361 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.8 -41.53 95.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.999 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.4 tp -69.62 -45.59 68.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.291 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -57.95 -36.06 72.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.217 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.48 91.1 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.679 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.18 -43.86 97.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.012 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.34 -32.69 70.33 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.072 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -66.31 -43.82 85.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.437 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.51 -38.93 93.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.912 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.3 mt -60.14 -41.05 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.677 0.275 . . . . 0.0 110.699 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -58.92 -47.61 84.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.418 0.628 . . . . 0.0 110.086 176.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.48 ' O ' HG21 ' A' ' 21' ' ' VAL . 72.3 mt -60.35 -46.46 95.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.883 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.5 -39.39 79.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.107 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -63.68 -45.23 91.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.367 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -47.64 84.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.019 0.438 . . . . 0.0 110.329 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.524 HG23 HD13 ' A' ' 40' ' ' ILE . 61.8 t -68.45 -39.87 81.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.462 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.89 -41.56 96.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.963 0.411 . . . . 0.0 110.362 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -67.29 -49.61 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.69 0.757 . . . . 0.0 109.997 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 2.2 tppp? -59.95 -23.24 63.4 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.449 -1.25 . . . . 0.0 111.643 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.25 -25.84 68.24 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.867 0.365 . . . . 0.0 111.05 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -69.35 -28.77 66.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.64 -45.87 60.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.71 22.42 72.3 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.021 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.67 119.26 21.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.066 0.46 . . . . 0.0 110.443 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.71 -36.84 85.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.114 -174.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -71.65 -44.13 64.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.975 0.417 . . . . 0.0 110.678 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.1 tp10 -64.09 -49.5 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.985 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.98 -36.51 81.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.331 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.29 -48.01 81.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.819 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 29.0 ttt180 -66.04 -47.46 74.3 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.006 0.432 . . . . 0.0 110.446 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.497 ' O ' HG13 ' A' ' 40' ' ' ILE . 60.3 mt -58.17 -34.61 70.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.75 -176.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 41' ' ' VAL . 65.0 t30 -60.44 -48.01 83.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -60.12 -40.05 88.4 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.878 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 5.3 mm-40 -60.35 -39.63 87.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.598 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.524 HD13 HG23 ' A' ' 21' ' ' VAL . 74.7 mt -66.18 -48.7 80.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.338 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 37' ' ' ASN . 60.9 t -56.63 -43.86 79.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.393 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -61.86 -45.92 91.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.1 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.07 75.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.247 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.611 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.0 mm-40 -61.65 -48.11 82.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -59.07 -42.79 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.808 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -68.85 -44.61 73.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.24 -46.45 94.44 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.102 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 44' ' ' GLU . 25.2 t -61.93 -35.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.117 0.484 . . . . 0.0 110.602 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -60.22 -38.23 82.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.052 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.0 t -71.08 -41.6 76.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.75 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -63.04 -39.35 94.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.824 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.61 ' HZ1' HG12 ' A' ' 48' ' ' VAL . 26.8 mtmm -61.43 -35.71 78.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.387 . . . . 0.0 110.888 176.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.19 -46.18 81.8 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.381 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.05 -31.83 72.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.773 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.75 68.84 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -76.09 -21.28 56.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 0.0 110.651 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -92.84 9.43 35.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.742 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.95 102.96 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.472 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -80.99 -15.65 55.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.05 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.49 ' HB2' ' HG3' ' A' ' 63' ' ' LYS . 12.2 m120 -117.3 124.03 29.42 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.079 -178.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.14 -27.83 85.7 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.975 2.45 . . . . 0.0 111.788 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -64.37 -46.45 83.32 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.824 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.49 ' HG3' ' HB2' ' A' ' 60' ' ' ASN . 46.0 mttm -73.29 -32.29 64.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.207 -178.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -39.75 91.31 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.024 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.01 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 70' ' ' ILE . 47.4 t -60.19 -51.11 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.469 178.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.71 -44.19 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.52 -43.94 96.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.984 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -58.48 -46.52 86.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.395 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 66' ' ' VAL . 78.6 mt -59.99 -42.27 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.242 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.0 -50.09 73.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.705 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.19 -41.25 77.4 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.419 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 13.4 m-20 -68.98 -37.67 78.9 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.431 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.489 ' O ' HG13 ' A' ' 78' ' ' ILE . 26.2 mm-40 -69.28 -38.65 78.44 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.034 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.443 ' OE2' HG13 ' A' ' 48' ' ' VAL . 25.7 mm-40 -58.4 -40.46 82.44 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.524 0.678 . . . . 0.0 110.075 173.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 86.3 tttt -59.83 -41.32 91.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.954 176.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 43.9 m170 -65.76 -45.59 81.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.007 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 74' ' ' GLU . 71.0 mt -56.32 -38.82 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.922 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.08 -41.58 92.78 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.421 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.432 ' CZ2' ' HE2' ' A' ' 76' ' ' LYS . 29.0 m0 -67.09 -46.97 72.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.07 0.462 . . . . 0.0 111.072 -177.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -70.48 -30.65 67.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.799 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -59.56 -46.78 87.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.739 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.79 -34.31 76.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.714 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.643 -178.719 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.75 -49.37 76.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.027 0.441 . . . . 0.0 111.215 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.914 ' HA ' HE21 ' A' ' 92' ' ' GLN . 0.0 OUTLIER -69.48 -28.83 66.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.85 177.721 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -66.13 -38.91 89.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.202 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.56 97.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.8 t -69.23 -34.81 75.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.728 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.587 ' HA ' HE21 ' A' ' 99' ' ' GLN . 48.2 tp -60.0 -47.4 86.01 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.656 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.33 -41.03 88.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.699 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.553 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 6.6 tt0 -65.91 -46.77 77.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.578 -177.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.587 HE21 ' HA ' ' A' ' 96' ' ' LEU . 29.1 pt20 -69.59 -34.87 74.73 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.214 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 6.2 t-160 -62.16 -43.9 97.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.04 -42.87 91.28 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.524 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 28.9 mm-40 -63.2 -43.85 97.03 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.03 0.443 . . . . 0.0 110.693 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.09 -44.27 97.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.267 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 49.8 mm-40 -63.79 -33.12 74.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.302 -178.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.78 -36.67 79.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.787 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.79 -42.36 99.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.723 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -59.34 -46.43 88.62 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.0 0.429 . . . . 0.0 109.862 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.54 -46.51 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.006 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -57.81 -46.13 85.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.609 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -68.73 -41.9 78.38 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.019 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.8 mt -74.18 -51.88 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.812 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 C--N 1.326 -0.414 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -171.801 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.705 0.288 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.46 -49.4 66.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.249 178.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 36.7 tp -63.76 -44.9 92.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.762 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.63 -35.78 70.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.866 -179.819 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.09 84.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 110.435 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.11 -43.82 98.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.705 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 96.1 mt-30 -59.08 -40.98 86.92 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.425 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.49 -44.08 92.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.303 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.555 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -64.95 -47.03 87.26 Favored Glycine 0 C--O 1.226 -0.355 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.278 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.0 mt -58.68 -42.49 85.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.381 . . . . 0.0 110.733 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -61.93 -46.6 88.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.221 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.456 ' O ' HG21 ' A' ' 21' ' ' VAL . 70.0 mt -59.33 -42.59 87.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.824 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.5 mt -60.48 -43.01 97.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.315 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -62.68 -40.15 96.21 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.686 0.279 . . . . 0.0 110.777 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.06 -47.39 84.9 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.119 0.485 . . . . 0.0 110.608 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.498 HG23 HD13 ' A' ' 40' ' ' ILE . 96.2 t -64.29 -40.15 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.01 178.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.7 tp -59.55 -39.99 85.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.182 0.515 . . . . 0.0 110.423 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -64.57 -50.16 68.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.604 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -64.94 -25.54 67.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.003 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.18 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 110.519 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -74.43 -29.78 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.338 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -71.0 -41.53 70.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.764 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.33 14.42 64.02 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 114.322 169.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.9 t70 -76.03 118.17 18.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.464 0.632 . . . . 0.0 109.917 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -76.14 -31.95 58.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.646 -172.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.9 -44.69 95.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.107 0.48 . . . . 0.0 109.793 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -66.65 -42.16 87.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.731 176.754 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 83.7 mt -59.67 -37.31 78.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.902 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.45 92.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.744 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -67.38 -50.5 59.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.059 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 87.1 mt -58.84 -48.62 80.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.715 -176.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -55.95 -49.49 73.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.824 -176.272 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.482 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 11.6 mm-40 -69.17 -36.38 77.3 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.094 0.473 . . . . 0.0 111.241 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.85 -34.89 76.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.423 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.498 HD13 HG23 ' A' ' 21' ' ' VAL . 80.2 mt -63.13 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 173.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.603 HG11 HG22 ' A' ' 78' ' ' ILE . 93.5 t -58.37 -46.6 89.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.499 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.94 -44.95 87.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.41 92.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.216 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.521 ' O ' HG22 ' A' ' 48' ' ' VAL . 6.1 tp10 -62.65 -46.81 86.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.996 178.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -59.04 -40.19 84.32 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.612 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -58.72 -43.32 90.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.834 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.22 -40.46 81.71 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.101 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 44' ' ' GLU . 77.2 t -56.61 -41.37 73.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.577 0.227 . . . . 0.0 110.886 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -59.63 -41.66 90.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.26 -41.35 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.701 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.602 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 27.5 m-85 -65.61 -37.4 86.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.748 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.511 ' HA ' HD13 ' A' ' 71' ' ' LEU . 61.9 mmtt -58.84 -45.33 90.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.152 0.501 . . . . 0.0 110.334 174.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.7 -48.2 82.61 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.929 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.95 -36.3 69.83 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -174.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -43.04 80.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 111.858 -175.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -96.8 4.44 51.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.221 0.534 . . . . 0.0 110.892 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -107.48 -4.64 18.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.367 172.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.75 136.11 28.14 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.147 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -83.59 -4.36 58.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.06 -173.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.519 ' OD1' ' HB3' ' A' ' 62' ' ' GLU . 13.4 t-20 -146.43 134.98 10.93 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.151 -177.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.41 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 11.8 Cg_endo -55.51 -41.8 74.27 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.482 2.788 . . . . 0.0 113.375 -177.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.519 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 38.5 tt0 -57.91 -44.65 86.94 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.526 0.679 . . . . 0.0 110.071 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HG2' ' HB3' ' A' ' 60' ' ' ASN . 61.9 mmtt -65.41 -37.08 85.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.568 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -57.04 -47.37 81.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.255 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 61' ' ' PRO . 46.1 mt-30 -58.57 -44.35 89.73 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.062 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 62' ' ' GLU . 59.1 t -61.55 -53.78 43.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.3 mt -63.38 -38.98 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.89 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.16 -48.34 78.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.363 -179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -71.14 -32.29 68.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.184 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.78 -38.52 82.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.344 0.592 . . . . 0.0 109.553 171.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.602 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 3.3 mt -56.33 -39.19 72.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.92 176.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.55 -46.44 83.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.783 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -67.61 -37.85 83.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.549 -177.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 7.5 mm-40 -69.0 -43.89 73.93 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.531 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -37.49 73.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.637 0.732 . . . . 0.0 110.293 172.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 31.1 ttmt -68.91 -37.84 79.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.173 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -64.43 -34.75 78.9 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.85 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.603 HG22 HG11 ' A' ' 41' ' ' VAL . 75.8 mt -61.25 -43.6 96.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.87 175.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -58.97 -41.93 88.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.225 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.482 ' HB3' HD12 ' A' ' 96' ' ' LEU . 51.9 m0 -63.63 -46.35 86.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -69.94 -30.59 68.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.666 -177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.34 -46.5 89.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.264 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.68 71.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.524 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.024 -178.832 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.715 0.293 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.89 -48.77 78.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.244 0.545 . . . . 0.0 110.78 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -72.08 -32.13 66.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.965 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.401 ' O ' HG22 ' A' ' 97' ' ' VAL . 62.3 t80 -66.31 -42.92 87.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.725 0.298 . . . . 0.0 110.219 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.81 79.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.681 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.491 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 13.0 t -69.74 -41.69 74.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.868 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.482 HD12 ' HB3' ' A' ' 80' ' ' TRP . 61.1 tp -60.23 -46.2 90.6 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.546 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.456 HG12 HD22 ' A' ' 18' ' ' LEU . 77.2 t -57.82 -41.91 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.782 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.17 -41.44 94.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.796 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 95' ' ' SER . 79.9 mm-40 -65.03 -41.8 94.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 110.463 178.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -63.61 -45.24 91.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.163 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 tt -58.69 -40.25 83.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.009 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 29.1 mm-40 -64.27 -40.86 96.85 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.805 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.89 -45.54 81.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.429 . . . . 0.0 109.918 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -63.14 -33.31 75.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.615 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -60.8 -36.15 78.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.134 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 102' ' ' GLN . 8.4 mmt180 -71.3 -34.83 70.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.03 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -64.11 -45.1 90.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.572 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.74 -39.59 85.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.181 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -56.6 -46.68 80.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.442 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.74 -44.17 97.43 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.657 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 70.5 mt -72.31 -36.8 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -176.327 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.714 0.293 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 51' ' ' TYR . 46.4 tp -66.59 -49.12 67.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.084 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.9 tp -62.54 -39.66 94.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.476 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -56.85 -38.57 72.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.052 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.44 ' HB3' ' HA2' ' A' ' 47' ' ' GLY . . . -63.23 -42.78 99.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.903 0.382 . . . . 0.0 110.617 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.36 -45.55 65.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.406 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.64 -35.56 74.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.222 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -61.03 -44.17 97.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.711 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -67.11 -43.3 90.51 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.92 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.81 -43.97 89.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.085 0.469 . . . . 0.0 110.243 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -58.28 -46.91 85.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.435 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.589 ' O ' HG22 ' A' ' 21' ' ' VAL . 75.1 mt -62.66 -46.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.295 176.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.2 mt -58.43 -46.33 86.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.47 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -64.53 -34.57 78.54 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.054 0.454 . . . . 0.0 110.738 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -39.6 90.07 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.804 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 17' ' ' ILE . 45.4 t -67.03 -40.99 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.948 0.404 . . . . 0.0 110.423 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.56 -36.14 77.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.507 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -67.42 -49.15 64.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.234 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -22.86 60.57 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.934 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.36 -25.85 66.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.447 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -68.74 -29.68 68.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.016 0.436 . . . . 0.0 110.773 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -76.91 -52.67 9.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.997 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.31 49.6 6.18 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.974 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -106.1 129.9 54.1 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -73.13 -30.6 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.064 -172.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -71.42 -42.13 68.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.156 0.503 . . . . 0.0 109.898 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 19.6 tp10 -59.63 -49.64 76.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.268 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.2 -37.0 84.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.257 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.21 82.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.891 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -60.8 -49.77 76.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.54 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.54 ' O ' HG13 ' A' ' 40' ' ' ILE . 96.2 mt -58.48 -40.73 83.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.766 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.55 ' O ' HG22 ' A' ' 41' ' ' VAL . 49.0 t30 -58.38 -49.37 77.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 0.0 110.142 178.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -42.07 93.77 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.994 178.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -63.83 -34.76 78.64 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.163 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 36' ' ' LEU . 93.9 mt -65.99 -46.77 87.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.928 0.394 . . . . 0.0 110.345 175.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 37' ' ' ASN . 29.9 t -61.5 -37.51 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.59 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -66.18 -46.34 77.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.009 173.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.64 94.47 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.454 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.2 mm-40 -59.31 -40.38 86.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.514 ' HZ3' HG11 ' A' ' 41' ' ' VAL . 50.5 mttp -62.11 -37.53 85.49 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.008 0.432 . . . . 0.0 110.476 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -63.07 -46.57 86.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.017 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' A' ' 10' ' ' ALA . . . -67.76 -45.68 73.5 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.577 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 44' ' ' GLU . 54.1 t -57.14 -40.26 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 122.241 0.216 . . . . 0.0 111.149 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -61.24 -47.98 83.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.618 0.247 . . . . 0.0 110.718 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.7 t -68.14 -42.71 85.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.655 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CD1' HD11 ' A' ' 7' ' ' LEU . 21.7 m-85 -58.05 -48.33 80.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.849 0.357 . . . . 0.0 110.451 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.2 tptp -60.72 -45.78 92.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.675 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.16 -50.33 74.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.55 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.64 -34.42 64.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.43 -43.69 88.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 8.3 pt-20 -91.03 12.71 18.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.287 0.565 . . . . 0.0 110.637 -176.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -130.72 12.63 5.33 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.356 175.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.87 143.94 28.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.436 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -82.66 -36.55 25.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.98 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -87.05 116.66 66.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.899 -174.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.95 -27.6 20.57 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.756 2.304 . . . . 0.0 113.025 -177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.94 -45.45 64.16 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.261 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -74.66 -23.81 58.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.729 175.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -43.32 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -66.39 -39.62 89.15 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.814 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 70' ' ' ILE . 61.6 t -61.19 -48.67 87.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.281 177.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.2 mt -63.34 -40.63 89.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -61.92 -45.79 92.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 110.303 177.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.415 ' HB3' ' HE3' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -59.71 -44.97 93.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.106 176.483 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 76.8 mt -62.15 -39.86 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.625 177.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.56 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 6.7 mt -57.68 -49.47 76.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.77 -42.18 88.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -58.84 -46.85 86.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.232 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 30.8 mm-40 -66.18 -37.28 85.24 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.371 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 59.0 mm-40 -57.58 -37.7 73.62 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 109.894 173.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.55 ' HZ1' ' HB2' ' A' ' 76' ' ' LYS . 3.9 ttmp? -68.88 -39.97 79.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.435 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -63.22 -42.72 99.31 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.85 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.9 mt -57.83 -37.51 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.713 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 82' ' ' LYS . 40.7 tt0 -64.93 -42.37 94.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.261 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.409 ' HB3' HD13 ' A' ' 96' ' ' LEU . 51.4 m0 -62.34 -47.24 85.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.166 0.508 . . . . 0.0 110.643 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -70.58 -28.79 65.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 80.0 tttt -57.81 -48.47 79.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.059 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 -35.05 75.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.889 -178.661 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 112.656 0.614 . . . . 0.0 112.656 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.96 -39.68 95.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.903 0.383 . . . . 0.0 111.465 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 12.5 mm-40 -61.97 -35.98 80.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.481 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.42 ' O ' HG21 ' A' ' 97' ' ' VAL . 72.3 t80 -68.66 -42.03 78.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.98 0.419 . . . . 0.0 110.029 176.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.09 -38.73 87.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.899 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 t -72.25 -33.55 67.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.198 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.409 HD13 ' HB3' ' A' ' 80' ' ' TRP . 41.7 tp -59.49 -46.89 87.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.163 0.506 . . . . 0.0 109.652 175.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 93' ' ' PHE . 89.6 t -60.3 -37.8 75.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.47 175.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 55.7 tt0 -65.37 -47.84 75.0 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.494 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -42.97 98.45 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 110.328 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.495 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 4.4 t-160 -60.88 -46.69 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.118 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 45.3 tp -58.45 -48.83 79.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.53 -177.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 28.7 mm-40 -58.61 -37.29 75.55 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.692 -177.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -69.32 -43.69 73.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.113 0.482 . . . . 0.0 110.289 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 15.2 mm-40 -65.26 -38.29 89.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.314 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 26.1 mt-30 -61.43 -36.69 81.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.317 0.579 . . . . 0.0 109.966 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 73.2 ttt180 -69.7 -37.93 76.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.934 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -58.52 -44.95 89.72 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.22 -42.89 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.996 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.13 -37.32 71.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.178 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 106' ' ' ARG . 45.9 mt-10 -71.53 -48.77 46.56 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.498 178.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.7 -38.21 81.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.561 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 121.179 0.514 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.484 HD22 ' CE1' ' A' ' 51' ' ' TYR . 30.9 tp -62.91 -37.85 88.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.605 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.486 HD12 HG23 ' A' ' 111' ' ' ILE . 32.8 tp -56.52 -41.8 77.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.551 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -57.15 -44.8 83.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.462 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.05 98.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.038 0.446 . . . . 0.0 110.757 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -67.71 -44.12 78.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.105 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 99.0 mt-30 -62.79 -39.07 93.09 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.142 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -61.94 -43.72 98.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.977 0.418 . . . . 0.0 110.565 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.428 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.88 -44.12 97.9 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.019 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.05 -40.72 86.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.819 0.343 . . . . 0.0 110.681 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -58.24 -46.68 85.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.217 0.532 . . . . 0.0 109.644 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 21' ' ' VAL . 78.7 mt -62.21 -42.59 95.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.058 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 94.4 mt -59.94 -41.59 92.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.606 0.241 . . . . 0.0 110.773 178.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.66 -40.96 96.33 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 121.189 0.519 . . . . 0.0 110.736 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.91 -45.99 92.45 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.137 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 17' ' ' ILE . 96.7 t -67.48 -44.35 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.77 -36.52 79.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.105 0.479 . . . . 0.0 110.288 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.19 -51.07 67.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.809 0.814 . . . . 0.0 110.206 175.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.11 -23.55 65.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.084 -1.416 . . . . 0.0 112.215 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.528 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -61.94 -31.6 71.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.995 0.426 . . . . 0.0 111.019 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -70.21 -28.94 65.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.266 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.17 -32.86 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.826 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.38 51.76 9.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.12 -0.562 . . . . 0.0 113.636 173.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.5 t70 -118.7 118.31 31.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -68.25 -31.64 71.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.059 -172.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -70.81 -38.67 73.31 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.118 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.531 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 3.2 tp10 -60.06 -49.83 76.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.655 175.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' ' 25' ' ' ALA . 85.1 mt -59.96 -43.84 94.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.049 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.97 95.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.753 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -64.36 -42.01 96.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.29 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 21' ' ' VAL . 97.7 mt -62.94 -44.31 96.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.651 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.29 -39.12 85.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 110.43 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.08 -40.83 97.11 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.743 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.11 -40.65 98.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.081 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.492 HD13 HG22 ' A' ' 21' ' ' VAL . 78.9 mt -60.52 -50.49 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.624 177.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 78' ' ' ILE . 85.4 t -61.08 -43.95 97.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.909 0.385 . . . . 0.0 110.699 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.99 -46.03 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.87 71.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.575 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE2' ' HB2' ' A' ' 77' ' ' HIS . 1.9 tp10 -62.82 -47.51 83.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.704 -178.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -63.48 -37.33 86.87 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.162 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.42 ' O ' ' HB3' ' A' ' 49' ' ' LYS . 28.5 tt0 -60.02 -42.15 93.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.94 175.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.55 -46.07 95.05 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.598 175.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 44' ' ' GLU . 83.1 t -58.91 -36.94 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.001 0.429 . . . . 0.0 110.838 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 46' ' ' GLN . 64.8 tttp -56.19 -47.77 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.458 176.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.2 t -71.49 -41.16 72.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.085 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.515 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 12.1 m-85 -58.33 -40.72 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.353 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.11 -40.77 98.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.093 0.473 . . . . 0.0 110.047 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -66.18 -41.09 90.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.945 176.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.63 78.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.177 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.7 90.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.219 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.68 -31.08 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.868 ' HB3' ' HZ1' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -79.66 -22.2 43.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.652 -176.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.95 131.35 50.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.331 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -86.0 -44.71 12.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.795 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -87.39 123.69 69.29 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.997 -174.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.91 -37.01 88.48 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.07 2.513 . . . . 0.0 112.67 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.89 -43.63 92.28 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.898 0.38 . . . . 0.0 110.885 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.96 -38.47 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.416 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.54 -36.14 79.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.68 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 28.4 tt0 -64.16 -40.18 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.464 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 70' ' ' ILE . 58.1 t -60.09 -43.58 93.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.127 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.73 -44.76 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.861 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -58.19 -42.52 86.31 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.063 0.459 . . . . 0.0 110.725 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 65' ' ' GLN . 42.4 mtpt -59.12 -45.57 90.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.315 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 66' ' ' VAL . 61.6 mt -67.56 -38.79 81.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.906 0.384 . . . . 0.0 110.447 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.515 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 5.9 mt -56.23 -43.57 78.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.41 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 6.7 tm-20 -63.83 -40.21 96.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.031 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.454 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 31.1 m-20 -69.47 -45.95 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.307 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.508 ' O ' HG13 ' A' ' 78' ' ' ILE . 14.2 mm-40 -68.69 -42.71 77.39 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.786 -177.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.61 -34.9 69.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.369 0.604 . . . . 0.0 109.995 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.626 ' HD2' ' CZ2' ' A' ' 80' ' ' TRP . 1.8 ttmm -66.53 -45.93 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.872 177.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.463 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 39.1 m170 -62.48 -41.3 98.69 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.559 -177.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.541 HG22 HG13 ' A' ' 41' ' ' VAL . 62.1 mt -56.31 -45.35 81.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.881 177.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -57.11 -40.02 76.22 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.731 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.626 ' CZ2' ' HD2' ' A' ' 76' ' ' LYS . 53.2 m0 -65.84 -47.25 75.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.036 0.446 . . . . 0.0 110.997 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -69.99 -31.18 68.75 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.117 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -62.24 -36.13 81.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.888 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.78 -31.76 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.289 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.791 -175.669 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.07 -51.02 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.778 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -73.35 -33.23 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.969 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.83 -48.21 77.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.606 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.9 -37.16 85.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.612 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.7 m -68.67 -41.74 78.86 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.551 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.23 -47.94 82.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.899 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.33 -39.05 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.639 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -62.45 -45.87 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.986 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -72.96 -40.47 65.31 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.649 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.436 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 12.0 t-160 -58.47 -42.38 87.33 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.37 -47.91 80.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.42 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.505 ' O ' ' HD3' ' A' ' 106' ' ' ARG . 15.0 mm-40 -60.2 -44.18 95.35 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.226 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.576 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 3.1 m-20 -63.26 -41.73 99.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.217 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.456 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 35.3 mm-40 -67.2 -37.13 83.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.698 0.285 . . . . 0.0 110.996 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -63.66 -35.34 80.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.785 0.326 . . . . 0.0 110.442 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.576 ' HE ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -66.39 -33.41 75.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.95 174.171 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' HG13 ' A' ' 111' ' ' ILE . 64.3 m170 -64.72 -45.66 85.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.173 175.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 112' ' ' GLU . 92.1 t -62.84 -40.46 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.084 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.99 -36.92 70.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.076 175.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.38 -46.67 75.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.942 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.486 HG23 HD12 ' A' ' 8' ' ' LEU . 71.7 mt -67.02 -43.41 89.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.85 -176.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 45.3 mm-40 . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 121.152 0.501 . . . . 0.0 111.014 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.951 0.405 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.89 -49.71 49.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.799 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.774 HD12 HG13 ' A' ' 108' ' ' VAL . 20.5 tp -67.77 -45.31 75.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.112 -175.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -58.67 -35.61 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.404 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.07 -45.47 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.976 0.417 . . . . 0.0 110.59 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.21 -44.22 95.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.488 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.03 -36.25 82.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.662 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 17' ' ' ILE . 50.4 tt0 -63.34 -43.99 96.12 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.86 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.561 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.61 -43.99 98.19 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.724 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.459 HG21 HD23 ' A' ' 101' ' ' LEU . 82.2 mt -58.51 -45.79 90.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.903 0.382 . . . . 0.0 110.618 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -59.18 -46.44 88.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.915 178.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.554 ' O ' HG21 ' A' ' 21' ' ' VAL . 75.2 mt -59.42 -47.08 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.683 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.9 mt -58.88 -39.61 81.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.347 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 61.0 mtpt -64.69 -39.48 93.74 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.807 0.337 . . . . 0.0 110.864 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -47.5 77.31 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.044 176.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 17' ' ' ILE . 57.4 t -61.3 -39.94 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.034 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.4 -46.56 88.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.988 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -66.33 -42.97 87.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.481 0.658 . . . . 0.0 109.802 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.713 ' HD2' HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -70.45 -23.13 62.66 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.515 -178.434 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 90' ' ' ALA . . . -70.82 -33.1 70.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.257 0.551 . . . . 0.0 109.741 172.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -36.63 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.187 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 46.1 mt-10 -57.02 -52.76 64.0 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 171.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.1 57.76 1.87 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.52 -0.764 . . . . 0.0 114.117 168.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -113.93 120.53 40.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 117.245 0.522 . . . . 0.0 109.929 172.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -56.2 -46.96 79.24 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.49 0.494 . . . . 0.0 111.798 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -67.69 -45.88 73.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.065 -172.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.609 ' CG ' ' HD3' ' A' ' 24' ' ' LYS . 9.4 tp10 -67.45 -38.07 83.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.274 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 25' ' ' ALA . 67.2 mt -65.54 -38.35 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.688 0.28 . . . . 0.0 110.921 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.26 -36.21 81.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.365 0.602 . . . . 0.0 110.068 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -67.58 -41.83 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.046 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.713 HD11 ' HD2' ' A' ' 24' ' ' LYS . 94.9 mt -63.9 -39.47 94.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.49 175.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -55.53 -46.29 77.07 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -59.46 -46.78 87.78 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.027 176.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -64.55 -36.7 85.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.629 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 36' ' ' LEU . 80.6 mt -63.39 -50.76 77.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.472 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.8 t -60.61 -40.19 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.249 0.547 . . . . 0.0 110.01 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -59.18 -46.91 87.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.963 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -47.98 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.185 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.1 mm-40 -59.78 -48.75 80.44 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.965 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -61.76 -36.14 80.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.829 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -61.9 -47.85 83.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.489 . . . . 0.0 110.109 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.92 99.63 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.015 176.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 44' ' ' GLU . 70.6 t -56.66 -45.93 82.72 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 122.241 0.216 . . . . 0.0 110.524 178.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -56.36 -43.75 79.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.903 0.382 . . . . 0.0 110.797 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.01 -43.81 92.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.774 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.569 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 29.9 m-85 -66.62 -35.05 79.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.001 177.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.551 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.1 mtpp -62.23 -43.81 97.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -57.18 -49.76 74.95 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.492 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.38 77.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.594 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.3 85.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.646 0.26 . . . . 0.0 111.319 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 59.0 mm-40 -76.75 -34.98 58.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.292 0.568 . . . . 0.0 109.751 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -91.47 23.56 3.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.542 176.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.01 117.3 2.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.08 0.466 . . . . 0.0 110.989 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -91.3 -21.29 21.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.338 -175.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 18.7 m120 -135.52 138.79 29.38 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 43.4 Cg_exo -58.03 -43.08 51.4 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.962 2.441 . . . . 0.0 112.491 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 3.8 mp0 -62.85 -45.94 90.24 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 121.652 0.739 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -71.39 -25.02 62.18 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.711 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -60.95 -40.43 93.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.145 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 78.2 mt-30 -66.73 -42.16 86.71 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.8 -50.54 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.038 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.421 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 67.1 mt -63.57 -38.32 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.644 178.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.416 ' HB2' HH11 ' A' ' 64' ' ' ARG . 14.9 t70 -58.49 -49.33 77.76 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.101 0.476 . . . . 0.0 111.291 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 65' ' ' GLN . 48.6 mmtt -67.35 -38.38 84.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.428 -177.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.459 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 70.5 mt -67.11 -42.85 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.287 176.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.569 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -60.13 -40.61 90.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.18 -179.719 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -61.7 -44.37 97.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.429 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 17.3 m-20 -60.61 -44.46 96.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.448 178.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 38.6 mm-40 -66.02 -44.07 85.76 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.051 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.3 -38.7 77.56 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 121.708 0.766 . . . . 0.0 109.682 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.7 ttmt -66.08 -41.59 90.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.945 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -60.6 -43.39 97.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.607 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 73.8 mt -57.65 -41.14 78.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.137 176.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -41.91 96.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.655 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.492 ' HB3' HD12 ' A' ' 96' ' ' LEU . 43.2 m0 -61.9 -47.34 85.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 111.33 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -70.47 -31.09 68.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.071 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.57 -45.89 81.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.945 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.23 69.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.049 0.452 . . . . 0.0 111.1 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.893 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.56 -49.34 77.04 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -174.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -30.42 67.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.793 -179.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -68.23 -43.9 76.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.47 77.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.804 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.5 m -60.96 -43.03 99.33 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.743 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 80' ' ' TRP . 55.8 tp -62.47 -47.39 84.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.509 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.411 HG11 HD23 ' A' ' 18' ' ' LEU . 89.6 t -61.62 -40.19 85.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.991 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -60.07 -46.02 90.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.031 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -72.84 -35.17 67.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.459 HD23 HG21 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -57.77 -43.96 85.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.51 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.437 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 14.8 mm-40 -62.6 -37.42 86.15 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.472 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.33 -49.45 71.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.158 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -62.84 -36.04 81.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.479 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 47.6 mt-30 -63.65 -38.92 92.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.589 0.233 . . . . 0.0 110.762 177.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.6 ttp85 -67.23 -33.45 75.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.789 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -63.83 -45.53 89.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.774 HG13 HD12 ' A' ' 8' ' ' LEU . 99.4 t -59.25 -41.11 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.26 174.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 58.0 mm-40 -57.44 -37.88 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.699 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.65 -46.99 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.038 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.6 mt -62.4 -42.12 94.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.078 0.466 . . . . 0.0 110.812 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 N--CA 1.448 -0.54 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.001 178.19 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.507 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 1.7 mp0 . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 121.289 0.566 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.92 -42.24 73.58 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.932 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.443 HD13 HG11 ' A' ' 108' ' ' VAL . 46.8 tp -60.35 -51.19 70.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.209 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.507 ' HG2' ' HA ' ' A' ' 6' ' ' GLU . 5.9 ptpp? -61.82 -35.69 78.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.51 89.0 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.935 0.397 . . . . 0.0 110.714 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.64 -45.6 93.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.739 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -67.25 -30.46 70.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.86 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.406 ' O ' HG13 ' A' ' 17' ' ' ILE . 26.3 tp60 -65.48 -42.43 92.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.951 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.46 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.79 -43.16 98.11 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.851 176.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.11 -40.84 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.453 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.26 -47.18 86.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.533 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.638 ' O ' HG23 ' A' ' 21' ' ' VAL . 85.2 mt -61.87 -44.26 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.811 177.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.0 mt -58.43 -44.16 89.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.706 0.288 . . . . 0.0 111.059 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -63.82 -38.92 92.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.092 0.472 . . . . 0.0 110.703 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -62.68 -46.4 88.32 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.086 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 17' ' ' ILE . 46.9 t -65.59 -39.79 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.02 -38.22 85.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.034 0.445 . . . . 0.0 110.383 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 9.0 tmtm? -67.75 -50.59 56.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.469 0.652 . . . . 0.0 109.716 176.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.739 ' HA ' ' HG3' ' A' ' 27' ' ' GLU . 42.9 mttm -65.39 -22.8 66.83 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.896 -1.047 . . . . 0.0 112.765 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HA ' HD22 ' A' ' 33' ' ' LEU . . . -62.19 -30.18 70.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.188 0.518 . . . . 0.0 109.86 172.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 64.4 mmtt -75.88 -28.07 57.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.457 177.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.739 ' HG3' ' HA ' ' A' ' 24' ' ' LYS . 46.2 mt-10 -62.29 -39.63 93.62 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.5 23.25 12.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 114.567 169.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -102.15 121.1 41.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.653 0.726 . . . . 0.0 110.373 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -70.47 -36.9 74.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.495 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.69 -33.63 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.0 0.428 . . . . 0.0 110.232 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.472 ' CD ' HH21 ' A' ' 35' ' ' ARG . 7.3 tp10 -59.41 -44.77 92.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.828 174.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 25' ' ' ALA . 93.2 mt -59.31 -44.01 92.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.98 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.75 95.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.974 0.416 . . . . 0.0 111.065 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.472 HH21 ' CD ' ' A' ' 32' ' ' GLU . 39.0 ttp180 -66.12 -42.62 88.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 21' ' ' VAL . 82.9 mt -66.36 -38.75 88.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.149 178.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' HG22 ' A' ' 41' ' ' VAL . 66.3 t30 -60.38 -41.92 94.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.9 0.381 . . . . 0.0 109.981 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 5.6 mm100 -63.54 -36.82 85.05 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.794 176.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.549 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 6.2 tp10 -61.38 -41.47 97.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.225 0.536 . . . . 0.0 109.759 178.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.39 -46.96 93.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.516 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 37' ' ' ASN . 98.5 t -57.48 -42.22 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.965 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.549 ' HD3' ' HA ' ' A' ' 39' ' ' GLU . 50.4 mtpt -57.58 -46.38 84.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.167 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.86 -47.33 69.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 -177.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 48' ' ' VAL . 10.9 mm-40 -62.19 -45.22 94.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -60.59 -46.06 91.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.072 0.463 . . . . 0.0 109.809 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.484 ' O ' HG21 ' A' ' 50' ' ' VAL . 23.0 tp60 -61.38 -43.19 99.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.218 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.69 -45.93 94.07 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.436 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 44' ' ' GLU . 99.6 t -57.49 -43.1 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.85 -43.82 97.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.677 178.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 46' ' ' GLN . 47.5 t -70.43 -39.85 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.87 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.01 -33.81 76.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.627 0.251 . . . . 0.0 110.803 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -58.84 -45.52 89.86 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.448 ' CD ' ' HZ1' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -62.47 -37.7 86.95 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.147 176.234 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.11 -33.97 72.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.351 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.86 81.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.079 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.46 -6.01 56.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.238 0.542 . . . . 0.0 110.275 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -109.19 26.3 10.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.015 172.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.57 91.4 1.83 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.863 0.363 . . . . 0.0 111.242 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -74.5 -12.03 60.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.287 0.565 . . . . 0.0 110.397 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.928 ' HB3' ' HD3' ' A' ' 63' ' ' LYS . 32.3 m-80 -129.87 124.93 21.9 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.982 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.49 -42.49 5.15 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.823 2.349 . . . . 0.0 113.977 -176.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -45.77 66.46 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.853 0.835 . . . . 0.0 110.181 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.928 ' HD3' ' HB3' ' A' ' 60' ' ' ASN . 9.4 mptt -63.47 -21.43 66.31 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.3 -1.318 . . . . 0.0 111.077 178.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -65.68 -37.78 87.44 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -36.78 69.38 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.671 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 70' ' ' ILE . 58.3 t -61.77 -45.81 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.029 175.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.49 -46.09 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.297 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.17 -40.23 80.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.062 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HG2' ' OD2' ' A' ' 73' ' ' ASP . 53.3 tttm -63.29 -47.11 83.7 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.406 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 66' ' ' VAL . 77.4 mt -62.53 -39.86 86.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.173 0.511 . . . . 0.0 109.885 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.71 -42.72 84.36 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.268 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -69.16 -45.04 71.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.438 177.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.411 ' OD2' ' HG2' ' A' ' 69' ' ' LYS . 33.8 m-20 -58.48 -51.5 69.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.435 -178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.54 ' O ' HG13 ' A' ' 78' ' ' ILE . 16.9 mm-40 -63.92 -38.1 89.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.82 -177.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -60.45 -42.56 96.41 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 121.729 0.776 . . . . 0.0 109.89 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -67.59 -37.49 82.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.203 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 60.1 m170 -58.85 -49.81 76.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.329 176.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.656 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 56.1 mt -57.15 -42.92 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.198 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -56.6 -41.92 77.83 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.454 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -64.64 -45.31 87.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.123 0.487 . . . . 0.0 110.891 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.424 ' HD2' ' O ' ' A' ' 77' ' ' HIS . 82.9 m-70 -68.47 -28.07 66.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.309 -175.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 94.1 mttt -56.92 -50.59 72.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 110.507 178.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.35 -35.07 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.43 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.59 -176.377 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.256 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.46 -50.14 74.0 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -173.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -73.64 -30.69 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.06 0.457 . . . . 0.0 111.348 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -72.5 -37.53 68.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.44 -37.18 74.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.061 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.1 m -68.0 -41.54 82.11 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.59 -47.8 82.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.574 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 88.5 t -61.39 -44.97 99.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.962 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -65.18 -43.28 92.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.308 . . . . 0.0 111.065 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.54 -43.9 97.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.133 0.492 . . . . 0.0 110.53 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.4 t-160 -66.27 -46.2 77.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.154 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 97' ' ' VAL . 2.2 tt -57.32 -46.2 83.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.027 -175.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -62.61 -34.09 76.32 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.6 -42.14 74.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.124 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -65.23 -33.88 77.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.498 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -60.16 -43.02 96.13 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.037 176.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.2 ttt-85 -67.31 -35.56 79.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.456 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -60.46 -51.71 68.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.008 0.432 . . . . 0.0 110.023 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.443 HG11 HD13 ' A' ' 8' ' ' LEU . 97.0 t -60.63 -43.97 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.527 177.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.49 -38.75 75.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.495 177.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -70.09 -39.86 75.33 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.435 ' HB ' HD11 ' A' ' 8' ' ' LEU . 69.4 mt -72.58 -50.12 36.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.434 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--N 1.327 -0.398 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -175.745 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.968 0.413 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.0 tp -69.7 -42.53 73.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.455 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.527 HD12 HG12 ' A' ' 108' ' ' VAL . 32.9 tp -65.52 -49.5 68.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.62 -177.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -62.75 -35.02 78.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.322 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.77 94.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.94 0.4 . . . . 0.0 111.111 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.39 -41.73 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.344 0.592 . . . . 0.0 110.315 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.33 -26.52 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.108 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.43 -43.71 96.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.286 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.28 -39.86 98.27 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.759 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.585 HG22 HD13 ' A' ' 101' ' ' LEU . 76.9 mt -60.72 -42.1 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 110.756 176.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.1 -42.67 99.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.445 0.64 . . . . 0.0 110.028 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 21' ' ' VAL . 77.6 mt -61.65 -42.46 94.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.762 175.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.49 HD22 HG13 ' A' ' 97' ' ' VAL . 93.2 mt -61.2 -38.67 87.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.762 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -60.23 -42.05 94.4 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.556 0.693 . . . . 0.0 110.644 174.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.96 -43.38 79.16 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.116 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 17' ' ' ILE . 90.7 t -61.49 -40.55 86.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.783 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.64 -38.26 87.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.062 0.458 . . . . 0.0 110.602 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -66.58 -49.81 65.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 109.647 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.578 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 60.7 mttm -65.25 -22.17 66.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.053 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -65.34 -33.62 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.03 0.443 . . . . 0.0 110.341 174.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -74.86 -28.41 60.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.464 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.578 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 30.1 mm-40 -55.84 -47.47 77.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 175.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.85 64.21 1.9 Allowed Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.7 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.522 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.1 t70 -135.74 130.33 33.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.621 0.211 . . . . 0.0 110.652 175.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.15 -50.54 73.27 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.434 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -62.16 -43.23 99.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.864 -174.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.554 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 41.2 mm-40 -60.81 -49.63 76.72 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.951 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 86.4 mt -61.79 -42.81 99.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.123 -178.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.2 98.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.073 0.463 . . . . 0.0 110.618 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -65.59 -44.02 87.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.244 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 95.9 mt -63.0 -43.99 97.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.255 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -56.35 -48.18 77.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -36.58 79.29 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 177.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.89 -39.49 89.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.175 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 36' ' ' LEU . 88.8 mt -60.05 -49.26 84.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.139 175.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.614 HG12 HG23 ' A' ' 78' ' ' ILE . 57.8 t -58.08 -42.05 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.414 177.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -62.0 -44.68 96.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.424 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.82 -44.95 94.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.664 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -59.2 -49.51 77.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.457 177.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -61.92 -38.88 90.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.148 -175.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.33 -48.45 80.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.281 0.562 . . . . 0.0 110.185 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.43 -37.57 90.3 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 44' ' ' GLU . 48.3 t -56.47 -47.56 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -65.18 -36.48 84.33 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.299 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.27 -41.83 93.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.263 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -62.68 -39.43 93.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.645 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.49 -44.08 97.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.719 0.295 . . . . 0.0 110.659 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -66.31 -37.97 86.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.24 77.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.79 76.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.121 0.486 . . . . 0.0 110.656 176.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -74.07 -31.52 62.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.14 176.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -82.07 -2.25 51.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.336 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.59 110.5 4.85 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.164 0.507 . . . . 0.0 110.468 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -83.3 20.23 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.626 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.48 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 14.7 t-20 -164.78 126.35 1.46 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.633 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.09 -37.62 82.94 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.206 2.604 . . . . 0.0 113.196 -175.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.48 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 30.3 mt-10 -62.04 -43.99 97.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.491 0.662 . . . . 0.0 110.328 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -61.76 -39.08 90.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.986 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -66.31 -36.74 83.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.945 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.44 -41.77 81.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.801 0.334 . . . . 0.0 110.36 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.8 t -60.08 -51.18 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.389 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.35 -42.2 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.523 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.4 -43.78 96.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.836 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.782 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -60.74 -44.53 96.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.299 177.526 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.465 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 77.6 mt -61.35 -42.98 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.07 176.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.42 -48.06 77.76 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.226 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.98 -44.27 97.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.504 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 19.8 m-20 -65.58 -42.05 92.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.555 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 12.2 mm-40 -66.13 -43.21 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.219 -0.301 . . . . 0.0 110.379 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.57 ' OE2' HG13 ' A' ' 48' ' ' VAL . 18.2 mm-40 -58.54 -34.94 71.57 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.462 0.648 . . . . 0.0 110.205 174.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.46 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 33.0 ttmt -67.94 -44.34 77.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.379 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 65.4 m170 -58.5 -43.14 88.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.767 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.614 HG23 HG12 ' A' ' 41' ' ' VAL . 76.8 mt -56.25 -41.42 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.956 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.478 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 39.9 tt0 -64.4 -40.1 95.15 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.935 -178.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -60.34 -45.63 92.77 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.226 0.536 . . . . 0.0 110.312 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -69.46 -30.19 68.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.647 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 45.8 mtmt -62.91 -41.19 99.36 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.457 175.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.23 86.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.245 0.545 . . . . 0.0 110.396 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.964 176.894 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.213 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mp0 -63.27 -49.98 71.95 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.052 0.453 . . . . 0.0 110.58 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -68.25 -32.66 73.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.074 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -68.14 -43.69 77.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.061 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.98 99.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.544 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.5 m -65.96 -40.04 90.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.816 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.68 -47.41 86.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.882 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.49 HG13 HD22 ' A' ' 18' ' ' LEU . 85.9 t -62.51 -46.76 95.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.676 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.17 -45.6 92.54 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.203 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.91 -37.88 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -63.45 -43.51 97.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.109 0.48 . . . . 0.0 109.749 177.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.585 HD13 HG22 ' A' ' 15' ' ' ILE . 39.3 tp -57.4 -39.1 75.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.258 -178.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -57.06 -44.61 83.18 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.783 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.32 -41.72 72.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.996 0.427 . . . . 0.0 110.641 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 51.3 mm-40 -63.28 -40.85 98.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.501 -177.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 92.1 mt-30 -63.31 -32.76 74.26 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.906 0.384 . . . . 0.0 110.512 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 106' ' ' ARG . 0.4 OUTLIER -72.98 -35.72 66.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.74 178.182 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.405 ' O ' HG13 ' A' ' 111' ' ' ILE . 56.1 m170 -57.55 -52.31 65.93 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.527 HG12 HD12 ' A' ' 8' ' ' LEU . 97.1 t -58.56 -43.87 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.033 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.87 -43.31 77.01 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.388 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.57 -48.14 50.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.79 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 107' ' ' HIS . 83.3 mt -60.08 -40.9 84.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.175 -175.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 108' ' ' VAL . 47.3 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 111.424 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.028 0.442 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.12 -36.97 78.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.378 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.778 HD11 HG13 ' A' ' 108' ' ' VAL . 27.1 tp -55.32 -34.26 64.03 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.351 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -57.49 -36.05 71.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.648 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.31 -45.53 90.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.945 -177.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -65.6 -43.39 89.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.238 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -67.75 -29.15 68.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.545 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -61.02 -43.84 98.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.0 110.324 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.552 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -72.14 -39.71 57.63 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.771 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.597 HG21 HD11 ' A' ' 101' ' ' LEU . 69.0 mt -58.38 -42.42 83.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.629 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -59.26 -46.28 88.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.007 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.546 ' O ' HG22 ' A' ' 21' ' ' VAL . 90.3 mt -62.18 -47.28 93.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.931 176.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.3 mt -58.46 -43.01 88.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.754 -176.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 13.3 mmmm -66.81 -34.56 78.09 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.99 0.424 . . . . 0.0 111.05 177.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' OE2' ' HE2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -68.5 -40.69 80.78 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.991 176.484 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 17' ' ' ILE . 99.1 t -61.0 -39.84 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.795 177.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.09 -38.28 79.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.961 0.41 . . . . 0.0 110.729 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -67.49 -50.38 59.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.94 0.876 . . . . 0.0 109.841 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.493 ' HE2' ' OE2' ' A' ' 20' ' ' GLU . 68.5 mttm -62.2 -25.08 67.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.204 -1.362 . . . . 0.0 111.888 -177.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.7 92.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.723 177.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.527 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 7.2 tmtt? -74.24 -37.76 63.7 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' A' ' 24' ' ' LYS . 40.0 mt-10 -57.67 -44.13 85.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.844 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.66 60.16 3.53 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.701 170.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 12.4 t70 -111.12 123.56 50.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -60.71 -51.33 69.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.655 -175.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -62.75 -40.83 98.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 7.1 tp10 -60.56 -49.71 76.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.525 177.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.529 HD21 HD11 ' A' ' 36' ' ' LEU . 93.1 mt -60.87 -40.37 92.71 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.245 -178.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.81 -43.37 98.99 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.048 0.451 . . . . 0.0 110.55 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -66.14 -39.37 89.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.278 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 92.4 mt -58.7 -47.3 85.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.231 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.564 ' O ' HG21 ' A' ' 41' ' ' VAL . 66.9 t30 -57.37 -47.79 80.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.131 0.491 . . . . 0.0 109.973 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -37.63 88.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.411 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.06 -43.08 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.12 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 36' ' ' LEU . 76.2 mt -62.96 -45.15 99.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.479 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.564 HG21 ' O ' ' A' ' 37' ' ' ASN . 39.2 t -59.16 -45.34 92.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.006 0.431 . . . . 0.0 110.436 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -35.48 81.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.235 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.39 -47.48 76.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.668 0.271 . . . . 0.0 110.677 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.2 mm-40 -63.5 -43.55 96.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.21 176.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -58.8 -38.13 77.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.912 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -62.97 -47.6 82.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.448 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.464 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -70.05 -46.93 48.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.08 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 78' ' ' ILE . 86.6 t -57.76 -36.43 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 0.0 111.305 -176.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -55.74 -49.06 74.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.556 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.3 t -70.93 -42.15 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.025 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.584 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 31.0 m-85 -58.56 -43.17 89.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.002 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -39.56 93.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.165 0.507 . . . . 0.0 109.855 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.4 -42.36 79.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.206 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.74 76.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.524 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.52 -33.93 70.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.959 0.409 . . . . 0.0 111.478 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -85.52 -11.7 53.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.023 0.44 . . . . 0.0 111.061 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -100.29 1.39 41.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.229 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.74 112.14 4.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.299 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -83.42 -2.43 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.037 -178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -133.32 124.53 18.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.048 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.13 -35.24 42.9 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.034 2.489 . . . . 0.0 113.478 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.55 -44.76 66.8 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.336 0.589 . . . . 0.0 109.898 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -63.3 -36.34 83.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.955 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.6 ttp85 -61.58 -38.98 89.54 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.554 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -39.98 96.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.389 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.5 -50.43 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.323 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.71 -41.56 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.741 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.71 -43.65 98.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.618 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -60.91 -44.02 97.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.465 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.0 mt -64.96 -40.99 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.584 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 2.7 mt -57.05 -40.68 77.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.855 178.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.446 ' CD ' ' HZ2' ' A' ' 76' ' ' LYS . 7.7 tm-20 -59.75 -44.98 93.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.422 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 10.7 m-20 -69.81 -43.62 71.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.923 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 78' ' ' ILE . 24.5 mm-40 -62.77 -44.15 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -57.89 -42.3 84.34 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 121.037 0.446 . . . . 0.0 110.063 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HZ1' ' CB ' ' A' ' 76' ' ' LYS . 3.1 ttmp? -62.42 -42.78 99.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.196 178.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 66.7 m170 -57.28 -43.71 83.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.235 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.514 HD13 HG22 ' A' ' 48' ' ' VAL . 59.3 mt -56.41 -39.79 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.098 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -59.78 -41.98 92.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.73 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 30.5 m0 -60.84 -46.34 90.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.178 0.513 . . . . 0.0 110.683 -177.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -70.99 -33.51 70.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.495 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 61.1 mtpt -64.48 -37.99 89.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.935 0.397 . . . . 0.0 110.506 176.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.11 89.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.145 179.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.638 176.44 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -61.97 -48.38 80.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.252 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -62.85 -42.31 99.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.444 ' O ' HG21 ' A' ' 97' ' ' VAL . 39.5 t80 -64.68 -43.98 91.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.4 -178.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.89 -35.31 80.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.1 t -68.44 -41.0 80.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.931 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.56 -46.31 90.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.12 0.486 . . . . 0.0 110.094 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.551 HG13 HD21 ' A' ' 18' ' ' LEU . 65.2 t -58.13 -45.09 88.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.88 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.75 -44.98 94.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.265 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -62.47 -41.0 98.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.348 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -66.3 -43.12 87.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.69 177.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.597 HD11 HG21 ' A' ' 15' ' ' ILE . 57.5 tp -56.57 -46.12 80.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.906 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.507 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -56.73 -44.35 81.58 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.454 -178.396 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.501 ' HA ' ' HD2' ' A' ' 106' ' ' ARG . 2.9 t70 -67.89 -39.25 83.7 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.45 -176.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.46 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 41.4 mm-40 -66.21 -36.56 83.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.577 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 44.3 mt-30 -66.14 -35.91 81.73 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.531 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 68.2 mtt180 -62.33 -37.2 84.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.943 0.401 . . . . 0.0 110.33 175.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.46 ' O ' HG13 ' A' ' 111' ' ' ILE . 52.9 m170 -64.3 -41.76 96.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.736 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.778 HG13 HD11 ' A' ' 8' ' ' LEU . 97.8 t -64.51 -39.9 87.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 175.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 71.5 mm-40 -56.85 -44.98 82.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.893 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -71.17 -31.07 67.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.472 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 107' ' ' HIS . 71.4 mt -72.78 -49.17 42.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.789 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.92 -42.39 94.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.336 0.589 . . . . 0.0 110.025 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.606 HD11 HG12 ' A' ' 108' ' ' VAL . 22.0 tp -58.69 -36.2 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.072 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 49.9 mtpt -57.29 -35.52 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.915 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.49 86.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.505 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.26 -44.37 97.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.102 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 93.7 mt-30 -59.35 -42.91 92.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -61.19 -43.84 98.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.779 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.566 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.14 -43.96 92.16 Favored Glycine 0 C--O 1.224 -0.509 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.155 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.497 HG23 HD12 ' A' ' 101' ' ' LEU . 62.4 mt -58.65 -41.38 82.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.157 0.503 . . . . 0.0 110.551 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -58.32 -48.14 81.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.023 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 21' ' ' VAL . 79.8 mt -65.15 -40.56 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.15 177.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.621 HD22 HG13 ' A' ' 97' ' ' VAL . 94.0 mt -60.17 -41.42 92.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.605 0.241 . . . . 0.0 110.952 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 9.2 mmmm -65.11 -38.54 91.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.149 0.499 . . . . 0.0 110.807 175.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.13 -38.59 82.38 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.259 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.4 t -71.76 -39.7 68.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.644 176.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.0 tp -59.03 -37.21 76.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.191 0.52 . . . . 0.0 110.018 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -61.92 -50.01 73.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.785 175.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HD3' HD12 ' A' ' 36' ' ' LEU . 57.9 mttm -68.33 -24.16 64.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.376 -177.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.94 67.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.146 0.498 . . . . 0.0 110.353 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -76.25 -33.8 59.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.079 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -62.32 -47.13 85.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.795 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.96 54.92 3.45 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.497 -0.774 . . . . 0.0 113.36 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.635 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.1 t70 -102.47 110.6 22.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 173.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -53.98 -55.13 29.99 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.226 -173.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -67.6 -41.32 84.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -175.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.536 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.8 tt0 -64.05 -38.59 91.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.579 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 71.3 mt -57.0 -44.42 82.74 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.5 -36.74 84.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.288 0.566 . . . . 0.0 110.587 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 ttt85 -65.8 -45.8 81.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.471 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 85.6 mt -59.47 -39.23 83.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.588 176.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -55.41 -48.11 74.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.176 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -65.91 -36.18 82.66 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.035 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.8 -41.23 99.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.437 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 36' ' ' LEU . 75.4 mt -61.0 -48.31 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.655 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.14 -38.3 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.617 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.93 -43.18 95.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.888 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.35 82.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.408 ' O ' HG21 ' A' ' 48' ' ' VAL . 7.9 mm-40 -60.2 -42.77 95.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.42 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.06 -40.2 84.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.924 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -65.29 -46.95 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 0.0 110.282 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.519 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -58.83 -40.93 95.74 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.408 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.476 HG13 HD23 ' A' ' 71' ' ' LEU . 43.7 t -56.09 -39.05 56.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.866 0.365 . . . . 0.0 111.097 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.94 -41.59 95.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.8 t -65.72 -46.53 88.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.863 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 49.5 m-85 -62.44 -41.24 98.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.202 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -59.1 -45.25 91.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.248 0.547 . . . . 0.0 109.936 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -43.04 99.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.567 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.19 -33.79 63.54 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.33 75.55 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -83.77 4.65 28.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.977 0.418 . . . . 0.0 111.153 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -99.11 -13.15 19.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.447 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.44 94.78 3.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.535 -172.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -70.9 -34.83 71.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.222 170.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 20.7 t-20 -83.59 126.02 72.22 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.25 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 34.4 Cg_exo -60.64 -37.33 80.31 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.309 2.673 . . . . 0.0 113.267 -176.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -62.71 -43.31 99.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.789 0.328 . . . . 0.0 110.826 -179.701 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.625 ' HB3' ' HZ2' ' A' ' 63' ' ' LYS . 9.9 mtpm? -62.61 -40.72 97.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.426 175.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.13 -50.85 71.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.46 ' HA ' ' OE1' ' A' ' 65' ' ' GLN . 6.5 tp60 -61.84 -46.72 88.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.525 -174.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.42 -52.72 57.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.927 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.26 -44.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.04 -48.28 79.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.23 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.941 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -70.96 -36.36 72.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.55 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.49 -38.49 82.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.611 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -56.45 -47.03 80.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.147 175.442 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.82 -40.74 85.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.88 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.6 -40.09 96.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -68.03 -37.48 81.4 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.163 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 60.6 mm-40 -57.95 -41.01 81.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.87 0.843 . . . . 0.0 109.65 173.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.462 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 32.4 ttmt -63.89 -35.9 82.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.061 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -66.71 -41.77 87.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.727 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.38 -39.33 85.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.194 0.521 . . . . 0.0 109.733 175.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -60.79 -42.16 97.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.779 176.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.407 ' HB3' HD13 ' A' ' 96' ' ' LEU . 50.4 m0 -62.48 -45.57 92.44 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.868 0.366 . . . . 0.0 110.621 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.521 ' HA ' HD22 ' A' ' 96' ' ' LEU . 6.1 m80 -65.41 -45.75 82.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.296 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -62.98 -34.91 78.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 0.0 111.366 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.39 -50.56 30.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.474 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -173.847 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HB2' ' OE1' ' A' ' 91' ' ' GLU . . . . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 90' ' ' ALA . 4.0 mp0 -61.16 -49.42 77.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.964 0.411 . . . . 0.0 111.27 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.79 -30.31 68.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.25 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.95 -48.05 72.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.423 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.82 88.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.8 m -62.86 -40.59 97.94 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.812 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' A' ' 81' ' ' HIS . 57.7 tp -62.61 -47.49 83.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.526 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.621 HG13 HD22 ' A' ' 18' ' ' LEU . 89.0 t -66.56 -37.94 80.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.25 -178.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -64.88 -41.38 95.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.639 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 99' ' ' GLN . 9.9 mm-40 -67.47 -38.22 84.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.392 . . . . 0.0 110.868 176.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.437 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 21.0 t-160 -61.24 -45.13 95.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.763 176.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.497 HD12 HG23 ' A' ' 15' ' ' ILE . 49.3 tp -58.41 -42.02 86.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.12 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -44.62 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.654 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -46.07 65.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.92 0.39 . . . . 0.0 110.659 -178.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 31.4 mm-40 -62.81 -33.66 75.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.115 -176.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -64.13 -35.77 81.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.128 0.489 . . . . 0.0 110.127 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -70.72 -35.12 72.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.326 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -59.82 -50.26 74.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.852 177.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.606 HG12 HD11 ' A' ' 8' ' ' LEU . 94.8 t -58.66 -45.16 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.25 -46.49 82.98 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.503 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.9 -46.12 58.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.538 -175.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 85.7 mt -59.26 -36.84 65.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.738 0.304 . . . . 0.0 111.619 -176.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.801 179.054 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.083 0.468 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.467 HD12 ' CZ ' ' A' ' 51' ' ' TYR . 22.0 tp -67.22 -44.97 78.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.78 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.546 HD12 HG11 ' A' ' 108' ' ' VAL . 30.7 tp -62.19 -47.21 85.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.449 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.91 -36.38 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.16 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.05 -46.07 79.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.954 0.407 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -66.38 -39.44 89.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.753 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -68.59 -32.45 72.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.061 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -68.5 -40.92 80.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.854 177.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.91 -40.62 95.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.455 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.568 HG21 HD12 ' A' ' 101' ' ' LEU . 67.2 mt -58.91 -45.16 92.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.569 0.223 . . . . 0.0 110.419 174.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -58.79 -45.39 89.96 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 21' ' ' VAL . 75.0 mt -60.8 -44.98 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.856 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.598 HD22 HG12 ' A' ' 97' ' ' VAL . 96.1 mt -63.38 -38.64 91.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.698 0.285 . . . . 0.0 111.047 177.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.521 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 7.0 mmpt? -62.75 -38.53 90.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.028 0.442 . . . . 0.0 110.471 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.21 -46.66 79.79 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.653 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.6 t -61.61 -40.1 85.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.949 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.52 -41.0 98.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.028 0.442 . . . . 0.0 110.257 177.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -61.81 -51.25 69.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.009 0.909 . . . . 0.0 110.004 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.711 ' HD2' HD11 ' A' ' 36' ' ' LEU . 60.5 mttm -69.75 -21.97 63.4 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.623 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.23 -28.16 69.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.222 0.534 . . . . 0.0 110.232 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.6 -28.57 58.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.716 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.639 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 7.4 mm-40 -54.36 -49.65 69.31 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.966 0.413 . . . . 0.0 110.577 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.0 -5.45 50.22 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.467 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -85.8 123.96 31.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.258 0.529 . . . . 0.0 110.391 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.03 -30.28 58.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.235 -173.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -69.54 -41.36 76.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.022 0.439 . . . . 0.0 110.655 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 12.8 tt0 -62.48 -38.94 91.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.133 177.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.48 -39.02 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.684 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.98 87.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.108 0.48 . . . . 0.0 110.477 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.522 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 4.8 tpm_? -59.24 -49.93 75.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.009 174.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.711 HD11 ' HD2' ' A' ' 24' ' ' LYS . 90.0 mt -62.34 -35.89 80.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.703 -178.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -55.15 -44.54 75.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.036 0.446 . . . . 0.0 110.393 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.81 -38.88 87.33 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.799 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 12.0 tp10 -65.78 -35.13 79.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.317 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.494 HD12 HG22 ' A' ' 21' ' ' VAL . 77.9 mt -63.29 -46.52 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.316 176.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.1 t -58.37 -42.97 85.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.199 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 39' ' ' GLU . 50.7 mtpt -60.37 -43.68 96.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.467 177.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.55 80.54 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 111.123 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.471 ' O ' HG21 ' A' ' 48' ' ' VAL . 7.6 mm-40 -62.65 -42.58 99.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.288 178.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -44.06 94.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.492 178.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.19 -42.17 99.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.186 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.71 96.0 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.896 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.726 HG11 HD21 ' A' ' 71' ' ' LEU . 70.7 t -57.26 -38.57 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.747 0.308 . . . . 0.0 110.913 177.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.63 -42.79 89.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.068 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.0 t -70.9 -43.21 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.467 ' CZ ' HD12 ' A' ' 7' ' ' LEU . 49.4 m-85 -61.06 -41.67 97.05 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.142 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.94 -41.95 92.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.929 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' CD ' ' HZ3' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -59.2 -46.7 87.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.336 177.847 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.74 -33.31 68.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.754 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.6 -36.67 79.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.989 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -77.64 -19.87 54.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.559 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HZ3' ' CD ' ' A' ' 53' ' ' GLU . 55.4 mttp -93.43 12.99 23.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.943 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 1.003 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . . . -64.23 118.52 8.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -88.06 -10.56 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.11 0.481 . . . . 0.0 110.344 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.476 ' ND2' ' HB2' ' A' ' 62' ' ' GLU . 11.5 t30 -161.15 138.83 6.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.743 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -47.49 -32.08 14.83 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 124.337 3.358 . . . . 0.0 114.826 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 29.9 mm-40 -57.06 -38.71 73.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.158 0.504 . . . . 0.0 111.018 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 1.003 ' HD3' ' HA ' ' A' ' 58' ' ' ALA . 64.7 tttp -64.65 -36.77 85.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.33 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.549 ' HE ' ' HB2' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -66.61 -42.14 87.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 -178.624 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -58.62 -43.05 89.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.547 0.213 . . . . 0.0 111.266 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.08 -50.72 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.564 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.461 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 93.7 mt -62.23 -46.26 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.863 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.549 ' HB2' ' HE ' ' A' ' 64' ' ' ARG . 20.3 t70 -60.4 -49.01 79.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.488 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 1.004 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 9.1 mmpt? -65.58 -43.83 88.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.604 -176.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 68.8 mt -65.52 -40.63 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.323 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.726 HD21 HG11 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -57.6 -46.38 84.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.559 177.033 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -65.69 -37.32 86.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.56 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 6.7 m-20 -61.94 -38.6 89.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.688 174.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 37.5 mm-40 -67.24 -42.24 84.31 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 54.3 mm-40 -57.97 -40.54 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.356 0.598 . . . . 0.0 110.106 174.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.6 ttpt -58.58 -40.55 83.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.89 176.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -64.38 -41.27 96.78 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.663 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.664 HG22 ' HE3' ' A' ' 82' ' ' LYS . 44.1 mt -67.02 -37.37 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.428 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.86 -42.13 71.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.271 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.433 ' HB3' HD11 ' A' ' 96' ' ' LEU . 39.5 m0 -65.12 -45.13 86.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -69.22 -29.76 67.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.83 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.664 ' HE3' HG22 ' A' ' 78' ' ' ILE . 95.8 mttt -59.36 -40.89 87.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.825 0.345 . . . . 0.0 110.47 175.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.97 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.931 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.009 179.521 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.06 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.34 -48.82 76.39 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.767 0.318 . . . . 0.0 111.218 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -64.5 -40.67 96.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.656 177.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -65.95 -45.77 80.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.719 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.96 90.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.794 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -67.65 -38.2 83.5 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.389 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 80' ' ' TRP . 56.4 tp -61.87 -47.24 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.385 177.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.598 HG12 HD22 ' A' ' 18' ' ' LEU . 72.0 t -62.25 -37.64 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.205 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.52 -41.91 96.1 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.695 0.283 . . . . 0.0 111.015 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -69.5 -40.75 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -58.98 -41.15 86.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.859 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 15' ' ' ILE . 52.6 tp -57.7 -47.37 82.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.393 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.469 HE21 ' HB3' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -56.46 -44.76 80.85 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.534 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.24 -44.82 90.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.237 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -63.64 -38.03 89.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.48 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -62.08 -37.48 85.2 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.403 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -71.89 -32.64 67.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.275 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -61.43 -46.25 90.89 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.546 HG11 HD12 ' A' ' 8' ' ' LEU . 84.8 t -62.26 -40.55 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.536 176.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -57.67 -41.83 82.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.175 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -46.68 88.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.039 0.447 . . . . 0.0 110.025 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.71 -50.75 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -174.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 . . . . . 0 C--N 1.33 -0.281 0 N-CA-C 113.923 1.082 . . . . 0.0 113.923 -166.725 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.892 0.377 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -95.94 -5.76 40.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.834 -175.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 71.43 121.99 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.531 0.681 . . . . 0.0 112.707 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 tt -135.63 -23.2 1.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.167 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 5' ' ' ARG . 18.3 mmt180 -60.33 -45.03 94.88 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.56 -31.86 69.06 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.991 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.27 -46.32 89.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.087 0.47 . . . . 0.0 110.08 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.454 HD11 HG11 ' A' ' 108' ' ' VAL . 36.7 tp -62.36 -46.28 89.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.362 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -58.32 -36.06 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.568 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.57 -46.11 87.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.947 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' HG2' ' HH ' ' A' ' 51' ' ' TYR . 13.5 mm-40 -64.94 -42.19 94.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.172 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -61.21 -39.33 89.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.093 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -62.0 -44.15 97.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.201 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.481 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.12 -42.26 94.54 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.776 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.538 HG22 HD12 ' A' ' 101' ' ' LEU . 68.1 mt -58.55 -43.37 86.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.88 0.371 . . . . 0.0 110.489 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -59.18 -47.99 83.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.104 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.537 ' O ' HG22 ' A' ' 21' ' ' VAL . 95.1 mt -62.88 -44.67 99.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.085 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.9 mt -58.51 -45.34 89.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.881 0.372 . . . . 0.0 110.989 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -64.65 -35.89 82.49 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 121.273 0.559 . . . . 0.0 110.646 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.02 -44.98 78.89 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.205 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 17' ' ' ILE . 95.4 t -63.91 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.248 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.32 -39.81 84.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.098 0.475 . . . . 0.0 110.741 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -65.23 -50.85 64.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.757 0.789 . . . . 0.0 109.392 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -65.86 -22.58 66.54 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.722 -176.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.68 74.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.279 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 26' ' ' LYS . 31.0 mmtm -76.56 -29.05 56.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.329 175.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.63 -40.2 82.68 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.98 58.61 4.68 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.533 -0.758 . . . . 0.0 114.471 168.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.571 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.2 t70 -122.84 131.55 53.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.019 0.41 . . . . 0.0 110.399 171.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -61.16 -48.48 81.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.526 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -62.4 -41.78 98.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.307 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.586 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.7 tp10 -60.08 -47.54 85.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.455 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 88.8 mt -59.32 -42.16 90.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.615 0.245 . . . . 0.0 111.282 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.5 98.3 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.118 0.485 . . . . 0.0 110.476 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -59.93 -47.49 85.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.834 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 96.3 mt -59.04 -46.02 89.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.494 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' HG22 ' A' ' 41' ' ' VAL . 67.1 t30 -60.01 -44.55 94.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.2 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -63.79 -37.27 86.74 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.43 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.535 ' HG3' HD12 ' A' ' 17' ' ' ILE . 5.9 tp10 -60.79 -45.17 95.45 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.273 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.455 HD12 HG21 ' A' ' 21' ' ' VAL . 70.6 mt -64.32 -50.68 75.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.858 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 37' ' ' ASN . 79.4 t -57.53 -44.78 85.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.036 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.62 -43.22 93.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.131 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.6 -47.82 65.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.4 mm-40 -59.97 -43.51 95.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.02 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -62.23 -42.03 98.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.383 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -66.39 -38.26 87.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.114 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -58.45 -45.42 94.44 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.998 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 44' ' ' GLU . 66.3 t -57.62 -39.96 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.072 0.463 . . . . 0.0 110.688 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.41 -44.7 95.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.762 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.21 -45.45 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.433 ' HH ' ' HG2' ' A' ' 11' ' ' GLU . 21.5 m-85 -64.71 -34.94 79.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' O ' ' HE2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -62.45 -43.65 98.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.008 0.432 . . . . 0.0 110.074 175.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.6 -46.52 89.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.025 176.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.82 76.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.701 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.42 88.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.266 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -74.54 -30.04 61.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.275 0.559 . . . . 0.0 110.017 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -89.48 10.53 22.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.22 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.17 123.74 22.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.481 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -70.69 -47.61 58.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.527 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.643 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 2.0 m-20 -108.84 139.07 20.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.34 -27.49 84.96 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.477 2.118 . . . . 0.0 111.025 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.85 -45.59 93.14 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.228 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.643 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 60.6 mmtt -73.92 -32.18 63.42 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.842 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -64.53 -36.32 83.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -54.56 -47.48 73.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.977 0.417 . . . . 0.0 110.619 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.8 -49.18 84.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.506 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.28 -46.09 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.033 0.444 . . . . 0.0 111.139 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.92 -39.39 91.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.429 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.02 -47.64 85.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.466 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.71 -37.3 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.653 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 52' ' ' LYS . 6.5 mt -55.14 -45.25 75.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.275 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -69.24 -41.07 77.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.925 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 5.7 m-20 -66.19 -38.29 87.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.24 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' O ' HG13 ' A' ' 78' ' ' ILE . 49.7 mm-40 -70.56 -40.46 73.35 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.497 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.8 -41.57 82.42 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 121.2 0.524 . . . . 0.0 109.592 172.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 36.9 ttmt -58.07 -43.0 86.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.582 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 65.6 m170 -62.65 -45.2 93.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.551 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.1 mt -57.51 -39.95 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.508 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.9 -41.74 92.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.332 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -64.47 -45.83 85.69 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.194 0.521 . . . . 0.0 110.884 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -69.63 -29.4 66.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.449 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -59.24 -38.2 79.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.535 172.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.09 -40.24 78.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.418 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -29.43 70.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.781 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.4 m -70.78 -13.68 62.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.812 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -93.39 -60.68 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -148.01 151.79 36.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.076 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.26 164.84 32.51 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.831 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -117.3 158.52 24.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.58 -50.66 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.332 0.395 . . . . 0.0 111.85 -175.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.46 -45.7 93.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.009 0.433 . . . . 0.0 111.062 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.54 -39.86 92.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.065 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.495 ' O ' HG22 ' A' ' 97' ' ' VAL . 71.6 t80 -62.61 -47.65 82.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.464 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.03 85.39 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.7 m -67.84 -40.11 83.75 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.718 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.18 -47.36 86.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.144 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 93' ' ' PHE . 90.0 t -58.78 -47.29 89.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.25 -36.91 84.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.197 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -69.79 -42.97 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -58.98 -39.47 81.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.671 176.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.538 HD12 HG22 ' A' ' 15' ' ' ILE . 55.6 tp -56.94 -46.89 81.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.825 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.575 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 16.6 mm-40 -58.69 -39.23 80.16 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.435 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -63.13 -49.51 74.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.257 0.551 . . . . 0.0 110.36 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.433 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 41.5 mm-40 -63.86 -34.59 78.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.166 -177.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 95.6 mt-30 -63.64 -36.49 84.01 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.797 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 62.6 mtt180 -63.91 -43.45 95.92 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 175.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.405 ' O ' HG13 ' A' ' 111' ' ' ILE . 51.7 m170 -58.63 -49.22 78.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.003 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.454 HG11 HD11 ' A' ' 8' ' ' LEU . 56.1 t -60.74 -43.57 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.373 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -57.29 -42.97 82.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.2 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.66 -41.55 68.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.857 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 107' ' ' HIS . 83.2 mt -72.82 -39.38 59.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.21 -26.67 66.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -82.71 97.02 8.34 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.67 0.747 . . . . 0.0 110.064 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -84.77 84.79 7.57 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.614 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.814 -0.613 . . . . 0.0 109.517 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptp . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.9 t70 66.19 94.8 0.06 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.903 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -102.81 138.88 39.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.95 -173.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.32 -31.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.229 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -69.22 -41.42 77.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.701 0.286 . . . . 0.0 111.067 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -60.37 -34.49 73.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.364 0.602 . . . . 0.0 109.812 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.52 -43.6 72.72 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.699 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.646 HD13 HG11 ' A' ' 108' ' ' VAL . 32.5 tp -58.53 -42.72 88.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.288 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -61.27 -35.85 78.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.819 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.41 93.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.602 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.515 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.4 mm-40 -62.98 -48.01 80.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.422 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.73 -27.43 67.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.289 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -44.8 83.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.365 0.603 . . . . 0.0 109.694 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.84 -34.84 72.14 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.322 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 11' ' ' GLU . 74.7 mt -57.77 -40.26 74.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.62 0.248 . . . . 0.0 110.692 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.647 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 12.7 tmtt? -60.13 -48.16 82.9 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.571 ' O ' HG22 ' A' ' 21' ' ' VAL . 78.8 mt -64.26 -41.56 92.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.104 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 101' ' ' LEU . 97.3 mt -60.63 -39.26 87.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.819 0.343 . . . . 0.0 110.851 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HG2' HD12 ' A' ' 101' ' ' LEU . 2.7 mmpt? -64.76 -35.0 79.66 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.195 0.522 . . . . 0.0 110.685 175.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.647 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 5.5 mm-40 -69.32 -47.43 64.49 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.262 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 17' ' ' ILE . 47.5 t -65.84 -38.74 82.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.4 -37.14 74.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.847 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -71.32 -51.72 22.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.696 0.76 . . . . 0.0 110.24 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' CD ' HD11 ' A' ' 36' ' ' LEU . 97.5 mttt -61.84 -23.31 66.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.21 -1.359 . . . . 0.0 112.407 -176.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -60.39 -43.97 96.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.394 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' A' ' 26' ' ' LYS . 18.6 ptmt -76.37 -28.21 56.71 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.805 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.09 -37.49 82.89 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 109.955 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.31 48.03 5.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.932 -0.652 . . . . 0.0 114.506 167.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.573 ' HB3' ' HB2' ' A' ' 32' ' ' GLU . 13.6 t70 -107.64 110.17 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 171.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.34 -29.38 68.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.086 -172.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -71.3 -43.65 66.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.573 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 4.1 mm-40 -62.69 -41.66 99.22 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.642 174.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 81.3 mt -58.99 -47.39 85.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.435 0.16 . . . . 0.0 111.272 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.19 91.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.185 0.517 . . . . 0.0 110.377 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -64.3 -41.19 96.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.35 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 98.2 mt -67.58 -41.93 83.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.949 177.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -60.6 -44.66 96.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -43.35 86.94 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.797 172.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.64 -45.79 90.94 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.728 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 36' ' ' LEU . 86.3 mt -60.65 -50.57 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.04 -37.58 77.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.978 0.418 . . . . 0.0 110.486 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -58.88 -46.63 87.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.462 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.42 -47.16 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.228 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.48 ' O ' HG21 ' A' ' 48' ' ' VAL . 9.5 mm-40 -59.13 -44.95 92.05 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -59.04 -41.49 87.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.368 178.652 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -67.68 -41.55 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.912 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.522 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -61.48 -45.82 95.59 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.972 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 44' ' ' GLU . 67.6 t -56.55 -38.79 58.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.755 0.312 . . . . 0.0 110.906 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -62.81 -41.41 99.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.829 0.347 . . . . 0.0 111.008 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.48 -41.85 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.116 0.484 . . . . 0.0 110.491 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 52.7 m-85 -70.18 -37.61 75.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.395 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -60.36 -35.18 75.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.518 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.4 -51.24 61.69 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.646 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.44 68.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.167 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.56 84.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.707 0.289 . . . . 0.0 111.657 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -86.91 4.39 41.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.93 0.395 . . . . 0.0 110.988 -177.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -128.58 14.11 6.5 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.629 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.38 134.97 38.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.037 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -101.98 -1.65 31.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.692 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -127.08 121.03 22.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -51.92 -44.76 43.03 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.344 2.696 . . . . 0.0 113.068 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.426 ' O ' HG22 ' A' ' 66' ' ' VAL . 22.8 mp0 -62.94 -44.65 95.49 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.397 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -72.54 -32.24 65.94 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.714 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -61.04 -39.69 90.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.189 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -66.21 -37.71 86.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.449 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 62' ' ' GLU . 57.6 t -59.95 -45.96 94.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.408 175.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.59 -43.1 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.425 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.7 -38.27 90.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.403 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -59.91 -45.83 91.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.187 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.71 -39.12 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.034 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.482 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 14.3 mt -57.24 -40.32 77.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 173.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -67.64 -44.77 77.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.883 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 19.5 m-20 -65.02 -44.82 87.93 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.091 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 78' ' ' ILE . 57.9 mm-40 -67.86 -42.39 81.41 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.015 -178.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.15 -44.07 87.68 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 33.8 ttmt -58.21 -41.77 84.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.012 176.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 51.1 m170 -59.24 -46.26 88.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.642 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 74' ' ' GLU . 67.6 mt -58.59 -40.12 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.204 177.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.47 -41.81 77.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.501 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -64.37 -46.45 83.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.212 0.53 . . . . 0.0 110.433 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -70.63 -31.82 68.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.354 -175.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -68.74 -38.54 80.23 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.572 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.07 -32.28 68.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.01 -30.61 67.95 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 177.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.7 m 72.97 -179.23 0.21 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.195 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -56.99 -64.98 0.7 Allowed 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.165 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -111.0 109.5 19.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.94 0.4 . . . . 0.0 110.402 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -120.06 -165.27 12.85 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -62.57 121.11 12.5 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.27 88.72 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -174.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.43 -43.91 98.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.918 0.389 . . . . 0.0 111.27 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -67.43 -35.99 80.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.816 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.428 ' O ' HG22 ' A' ' 97' ' ' VAL . 69.6 t80 -66.81 -39.42 87.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.292 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.9 85.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.662 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.2 t -69.92 -36.29 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.059 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.36 -48.09 83.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.549 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 93' ' ' PHE . 59.8 t -63.45 -40.83 90.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.591 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.21 -45.72 87.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.67 -42.52 91.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.462 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.44 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 3.8 t-160 -61.13 -47.34 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.104 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.505 HD12 ' HG2' ' A' ' 19' ' ' LYS . 4.1 tt -57.98 -45.16 87.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.479 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.503 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 10.4 mm-40 -63.49 -36.22 83.05 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.598 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -69.06 -41.73 77.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.211 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.456 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 18.3 mm-40 -65.06 -36.27 83.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.614 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 60.2 tt0 -64.21 -44.64 91.32 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 175.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -62.53 -33.98 75.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.467 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.417 ' O ' HG13 ' A' ' 111' ' ' ILE . 61.4 m170 -62.91 -45.98 89.98 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 174.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.646 HG11 HD13 ' A' ' 8' ' ' LEU . 92.7 t -60.79 -46.03 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.373 . . . . 0.0 110.036 175.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 72.2 mm-40 -57.41 -38.14 73.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.242 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.81 -40.16 72.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.529 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 107' ' ' HIS . 70.9 mt -72.89 -35.83 50.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.348 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -59.08 -26.63 64.8 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -115.64 179.97 3.82 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.36 0.6 . . . . 0.0 110.311 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -89.74 138.86 31.11 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.903 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.044 171.735 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.831 0.348 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -82.98 9.62 9.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.804 -174.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -63.07 -39.15 93.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.116 0.484 . . . . 0.0 109.908 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.47 -22.1 66.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.04 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -62.05 -41.83 98.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.266 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.4 -37.01 82.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.395 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.3 -50.09 75.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.102 0.477 . . . . 0.0 110.427 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.734 ' HG ' HE21 ' A' ' 12' ' ' GLN . 19.9 tp -70.43 -40.96 73.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.71 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -61.18 -36.95 81.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.4 97.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 110.263 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' HB2' ' HH ' ' A' ' 51' ' ' TYR . 4.9 tp10 -62.09 -47.9 82.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.935 177.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.734 HE21 ' HG ' ' A' ' 8' ' ' LEU . 78.8 mt-30 -62.49 -38.07 88.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.01 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -61.88 -42.37 98.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.18 0.514 . . . . 0.0 110.089 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -65.2 -38.84 95.65 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.723 176.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.476 HG22 ' HE2' ' A' ' 19' ' ' LYS . 69.4 mt -60.67 -39.16 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.689 0.28 . . . . 0.0 110.728 176.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -59.08 -47.45 85.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.175 0.512 . . . . 0.0 109.746 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 21' ' ' VAL . 78.3 mt -61.61 -44.33 98.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.747 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.494 ' HB3' ' HG ' ' A' ' 101' ' ' LEU . 92.3 mt -58.49 -44.39 89.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 0.0 111.077 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HE2' HG22 ' A' ' 15' ' ' ILE . 58.8 mtmt -66.7 -34.96 79.01 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.894 0.378 . . . . 0.0 110.802 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.93 -46.34 88.26 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.574 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 17' ' ' ILE . 61.2 t -64.67 -40.02 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.564 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.52 -39.44 87.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.459 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HZ2' ' CD ' ' A' ' 27' ' ' GLU . 14.0 tmtt? -62.38 -50.67 70.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.648 0.737 . . . . 0.0 109.568 174.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.1 -26.57 64.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.27 -1.332 . . . . 0.0 112.111 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.65 ' HB3' ' HB1' ' A' ' 94' ' ' ALA . . . -65.59 -25.98 67.64 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -71.87 -29.73 64.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.187 0.518 . . . . 0.0 110.388 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' CD ' ' HZ2' ' A' ' 23' ' ' LYS . 22.1 mt-10 -92.8 -58.92 2.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.928 -178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.784 ' HA2' HD13 ' A' ' 33' ' ' LEU . . . 56.91 72.86 0.51 Allowed Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.389 -0.823 . . . . 0.0 114.265 173.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -87.33 -83.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.404 -0.519 . . . . 0.0 109.794 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.504 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 9.5 pt-20 -173.04 -58.95 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 175.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.504 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 15.9 mm-40 -60.49 -44.84 95.52 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -168.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.19 -42.77 88.4 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 120.729 0.299 . . . . 0.0 110.461 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.784 HD13 ' HA2' ' A' ' 28' ' ' GLY . 89.0 mt -63.51 -43.5 97.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.811 -179.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.8 81.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 35' ' ' ARG . 31.0 ttt180 -66.24 -46.42 77.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' ILE . 58.2 mt -60.92 -39.1 88.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.291 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' HG22 ' A' ' 41' ' ' VAL . 40.1 t-20 -58.44 -48.79 79.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.143 0.497 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.931 ' HA ' HE21 ' A' ' 38' ' ' GLN . 0.0 OUTLIER -67.78 -36.44 80.49 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.203 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.5 -42.46 99.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.462 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 36' ' ' LEU . 93.5 mt -57.46 -49.3 80.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 176.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 37' ' ' ASN . 94.4 t -56.64 -48.79 80.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.891 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.5 -46.04 84.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.202 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.07 -48.8 74.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.883 -174.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 48' ' ' VAL . 24.2 tt0 -70.61 -39.49 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.793 -177.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.9 -38.06 86.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.915 0.388 . . . . 0.0 110.384 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -65.39 -42.25 92.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.845 175.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -60.98 -39.31 96.86 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.437 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 44' ' ' GLU . 92.3 t -56.66 -40.55 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.893 0.378 . . . . 0.0 110.605 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.02 -46.06 89.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.654 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.45 -40.17 87.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.763 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HH ' ' HB2' ' A' ' 11' ' ' GLU . 17.8 m-85 -63.12 -43.84 97.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 176.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.55 81.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.385 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.96 -48.74 80.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.71 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.81 -33.79 66.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.782 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.94 79.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 111.903 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.66 -16.32 57.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.835 0.35 . . . . 0.0 110.669 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -86.47 1.76 50.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.803 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.31 120.15 13.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -67.67 -41.47 83.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.689 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -93.67 127.18 46.9 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.526 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.15 -30.85 24.41 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.784 2.322 . . . . 0.0 113.632 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.69 -46.44 75.6 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.445 0.64 . . . . 0.0 110.741 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -72.71 -21.92 60.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -65.55 -42.16 92.18 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -38.48 80.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.367 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 70' ' ' ILE . 51.9 t -60.76 -47.06 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.444 177.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.94 -40.48 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.596 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.53 ' HA ' HD13 ' A' ' 71' ' ' LEU . 12.4 t70 -63.62 -37.61 87.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.323 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 69' ' ' LYS . 44.3 mtpt -65.62 -42.91 91.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.933 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 84.9 mt -58.56 -41.97 83.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 68' ' ' ASP . 52.2 mt -57.07 -43.17 81.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.798 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -65.31 -44.88 86.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.454 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.529 ' HA ' ' HZ2' ' A' ' 76' ' ' LYS . 19.1 m-20 -61.66 -42.12 98.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.251 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 13.1 mm-40 -65.97 -39.12 90.1 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.465 177.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -57.45 -43.67 84.14 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.355 0.598 . . . . 0.0 110.111 173.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.529 ' HZ2' ' HA ' ' A' ' 73' ' ' ASP . 3.6 ttmp? -60.08 -38.71 83.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.909 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.8 m170 -66.4 -48.23 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.246 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.12 -38.01 58.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.385 0.612 . . . . 0.0 110.322 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.77 -40.39 96.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.117 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -61.11 -45.01 96.43 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -67.68 -29.62 68.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.874 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -62.2 -42.5 99.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.35 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 110.456 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.51 -28.0 66.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.411 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.4 m -58.58 -20.81 50.14 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.57 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -91.98 112.3 24.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.793 -0.185 . . . . 0.0 110.852 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 61.92 -162.37 0.28 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.658 0.599 . . . . 0.0 110.945 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.96 155.76 7.92 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.637 175.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -140.54 172.88 12.09 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.16 -51.95 67.6 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -172.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -62.17 -48.6 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -175.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -67.02 -34.33 77.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.646 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.408 ' O ' HG22 ' A' ' 97' ' ' VAL . 7.9 t80 -69.09 -42.63 75.91 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' A' ' 25' ' ' ALA . . . -60.41 -39.41 87.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.599 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 23.8 t -60.89 -45.42 94.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.341 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.59 -47.79 84.66 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.107 0.479 . . . . 0.0 110.678 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 93' ' ' PHE . 95.6 t -61.6 -41.57 90.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.956 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.04 -45.61 92.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.914 0.388 . . . . 0.0 111.103 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 95' ' ' SER . 78.1 mt-30 -66.35 -35.98 81.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.943 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 6.0 t-160 -69.67 -42.77 73.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.583 176.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.494 ' HG ' ' HB3' ' A' ' 18' ' ' LEU . 1.2 mt -57.47 -45.49 84.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.141 -177.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -60.68 -38.05 83.65 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.781 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -40.61 77.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 0.0 110.018 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.436 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 47.8 mm-40 -67.81 -37.53 82.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.096 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -62.52 -35.63 80.02 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.27 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -64.67 -40.82 96.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.482 174.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.406 ' O ' HG13 ' A' ' 111' ' ' ILE . 57.6 m170 -61.01 -51.24 70.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.169 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.84 -41.92 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.382 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -56.95 -43.28 81.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.391 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.15 -50.08 37.21 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.519 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 107' ' ' HIS . 79.8 mt -62.57 -36.71 76.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 111.972 -175.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.36 -26.83 68.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -134.45 25.68 3.77 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -117.43 106.18 12.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.804 0.335 . . . . 0.0 110.58 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.5 t30 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.121 178.216 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.72 0.295 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -126.15 150.93 47.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.031 0.443 . . . . 0.0 110.094 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.31 -0.76 20.57 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.732 177.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 tt -73.01 -47.04 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.258 -173.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -44.97 95.48 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 117.004 -0.089 . . . . 0.0 111.2 -173.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.1 -43.29 99.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.74 0.305 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.7 tp -66.89 -43.14 84.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.096 0.474 . . . . 0.0 110.059 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 tp -60.27 -45.3 93.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.853 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.23 -41.94 98.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.694 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.08 92.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 110.789 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.74 -47.01 70.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.493 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.25 -28.45 69.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.497 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.39 -41.91 97.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.445 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.471 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.69 -41.96 98.82 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.198 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.02 -41.17 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.092 0.473 . . . . 0.0 110.365 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -59.41 -48.12 82.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.302 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 21' ' ' VAL . 82.3 mt -61.3 -45.34 98.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.942 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -58.27 -43.84 88.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.327 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 19.9 mmtp -66.22 -39.18 89.42 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.651 0.263 . . . . 0.0 111.079 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -64.38 -41.0 96.92 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.018 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.54 HG22 HD13 ' A' ' 40' ' ' ILE . 93.5 t -70.27 -42.41 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 tp -59.23 -37.2 76.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.541 . . . . 0.0 110.174 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -61.04 -50.2 74.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.031 176.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.706 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 4.9 mptp? -60.73 -32.8 72.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.809 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.68 75.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.883 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -75.27 -35.74 61.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.015 0.436 . . . . 0.0 110.188 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.54 -35.1 79.39 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.578 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.71 42.53 5.39 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.229 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.555 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.7 t0 -106.32 100.05 9.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.344 0.592 . . . . 0.0 109.653 176.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.79 -38.54 86.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.043 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -65.37 -38.02 88.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.181 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.706 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 4.7 tp10 -67.17 -42.96 83.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.432 175.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 87.0 mt -59.16 -46.15 89.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.43 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.64 83.26 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.191 0.519 . . . . 0.0 110.653 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.526 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 31.1 ttt180 -67.66 -47.17 70.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.411 176.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.539 ' O ' HG13 ' A' ' 40' ' ' ILE . 92.4 mt -60.04 -44.74 94.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.531 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -58.02 -42.42 85.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 110.565 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -43.15 98.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.683 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -66.6 -38.5 87.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.654 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.54 HD13 HG22 ' A' ' 21' ' ' VAL . 82.4 mt -59.24 -50.27 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.671 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.3 t -59.55 -49.9 81.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 42' ' ' LYS . 53.0 mtpt -59.44 -45.94 90.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 111.242 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.88 -48.61 62.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.081 -175.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.544 ' O ' HG21 ' A' ' 48' ' ' VAL . 24.0 tt0 -70.33 -38.16 74.85 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.762 -177.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -59.39 -37.38 77.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.856 0.36 . . . . 0.0 110.206 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -64.63 -39.62 94.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.822 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.95 -41.45 87.77 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.728 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.544 HG21 ' O ' ' A' ' 44' ' ' GLU . 62.5 t -62.24 -35.99 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.982 0.42 . . . . 0.0 110.582 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -58.86 -41.72 87.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.043 175.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.96 -37.8 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.456 175.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.438 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . 6.4 m-85 -58.25 -43.54 87.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 176.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.569 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 63.1 tttm -65.46 -43.09 91.44 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.14 -46.16 79.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.368 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.12 -36.82 64.21 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.92 87.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 15.8 pt-20 -93.87 5.51 51.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.53 0.681 . . . . 0.0 110.372 -177.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -127.7 15.39 6.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.14 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.88 141.6 38.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.906 -177.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -74.99 -29.07 60.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.615 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.698 ' HB2' ' HD3' ' A' ' 63' ' ' LYS . 14.1 m120 -132.98 144.6 53.51 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.345 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.81 -40.74 34.16 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.767 2.311 . . . . 0.0 112.269 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -60.31 -41.5 93.61 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.237 0.541 . . . . 0.0 110.342 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.698 ' HD3' ' HB2' ' A' ' 60' ' ' ASN . 14.1 mptt -70.34 -32.34 70.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.807 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -62.47 -42.43 99.47 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.029 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -54.36 -43.25 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.322 0.389 . . . . 0.0 110.584 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 70' ' ' ILE . 61.2 t -63.54 -51.11 74.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.802 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.38 -37.2 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.156 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.91 -40.24 94.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.838 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -60.68 -45.41 94.28 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.393 173.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 66' ' ' VAL . 81.1 mt -62.49 -39.27 83.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.402 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -56.47 -49.45 74.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.962 175.448 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.39 -41.15 93.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.155 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -63.7 -51.05 66.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -63.33 -39.94 95.95 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.947 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -58.27 -36.09 72.75 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.471 0.653 . . . . 0.0 110.338 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 29.2 ttmt -70.54 -40.69 73.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.679 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 57.3 m170 -59.83 -50.21 74.7 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.46 -37.24 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.591 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.49 -41.8 98.54 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -62.87 -46.3 88.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 110.423 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -70.42 -32.52 70.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.481 -178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.424 ' O ' ' HD2' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -69.94 -36.9 75.65 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.634 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.53 84.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.944 0.402 . . . . 0.0 110.664 177.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.71 -29.74 70.92 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.461 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.8 m 72.78 -80.09 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.295 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -149.31 -62.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.002 0.43 . . . . 0.0 111.229 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -88.87 133.38 34.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.781 -172.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -160.25 147.37 14.27 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -58.14 140.29 53.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.376 0.588 . . . . 0.0 110.287 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.25 -41.89 51.02 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.484 0.49 . . . . 0.0 112.232 -174.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.67 -48.82 79.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.099 0.476 . . . . 0.0 111.484 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -70.98 -38.68 72.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.611 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.65 -42.35 82.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.517 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.53 87.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.7 m -64.19 -39.16 93.41 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.416 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.54 -47.64 84.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.314 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.4 t -62.26 -40.93 89.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.09 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -62.84 -44.95 94.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.292 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -69.31 -33.37 73.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.691 0.281 . . . . 0.0 110.828 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.447 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -66.86 -41.46 87.27 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.12 -46.52 88.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.311 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -43.81 81.22 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -45.86 83.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.671 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 55.2 mm-40 -64.27 -38.4 90.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.717 -176.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -65.56 -33.16 75.27 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.146 0.498 . . . . 0.0 110.243 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.594 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -69.3 -33.65 73.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.266 177.515 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -63.67 -43.16 97.52 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -60.24 -40.63 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.762 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 106' ' ' ARG . 40.1 mt-10 -57.37 -36.21 70.93 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.119 176.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 106' ' ' ARG . 5.3 mm-40 -71.12 -48.14 53.93 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.227 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 64.2 mt -72.55 -40.44 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -173.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.85 -26.38 68.1 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -174.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -91.47 46.54 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.924 0.393 . . . . 0.0 111.715 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.561 ' C ' ' HD3' ' A' ' 114' ' ' LYS . 11.9 tmtt? -84.26 115.89 22.69 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 175.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.795 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 mtt . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.3 117.09 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.162 0.506 . . . . 0.0 111.567 -168.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.31 10.9 40.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.14 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.2 mt -117.06 -55.83 2.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.86 0.362 . . . . 0.0 111.236 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -68.03 -46.13 72.02 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.747 -176.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -67.18 -32.98 74.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.89 -46.64 77.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.858 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.802 HD13 HG13 ' A' ' 108' ' ' VAL . 26.3 tp -65.61 -40.23 92.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.406 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -57.77 -35.78 71.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.734 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.5 92.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.879 0.371 . . . . 0.0 110.733 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.76 -45.29 83.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.487 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.25 -29.38 70.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.946 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.669 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.39 -44.23 95.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.486 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -68.1 -41.3 87.32 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.897 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.94 -40.69 81.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 110.51 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.669 ' HE3' ' HA ' ' A' ' 13' ' ' GLN . 28.5 mtmt -58.91 -46.91 86.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.578 175.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.531 HD11 ' HG3' ' A' ' 39' ' ' GLU . 86.0 mt -64.13 -44.06 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.595 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -59.23 -47.1 86.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.608 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.679 ' HG2' HD11 ' A' ' 101' ' ' LEU . 90.4 mttt -66.74 -35.05 79.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.652 0.263 . . . . 0.0 110.957 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.54 -47.08 80.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.499 HG21 ' O ' ' A' ' 17' ' ' ILE . 87.2 t -64.4 -39.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 177.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 tp -59.52 -36.0 75.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.23 0.538 . . . . 0.0 110.359 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -66.45 -49.37 66.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.818 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -59.27 -23.37 62.34 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.939 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.76 -26.27 68.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.189 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HZ1' ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -73.48 -35.79 65.71 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.457 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.18 -47.11 59.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.819 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.62 56.9 4.03 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 114.025 171.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 16.5 t70 -101.16 119.14 38.32 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 171.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.87 -44.04 94.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -171.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -71.49 -41.62 69.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.324 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 8.5 tp10 -65.78 -41.43 92.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 64.8 mt -60.18 -43.14 96.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 111.167 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 37' ' ' ASN . . . -67.16 -35.65 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.36 0.6 . . . . 0.0 110.508 178.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.404 HH21 ' CD ' ' A' ' 32' ' ' GLU . 22.4 ttp180 -69.2 -39.42 78.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.57 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 92.2 mt -63.58 -33.44 75.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.761 175.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 34' ' ' ALA . 8.7 t30 -56.33 -43.45 79.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.629 176.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -41.36 83.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.771 176.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.531 ' HG3' HD11 ' A' ' 17' ' ' ILE . 9.4 tp10 -62.34 -41.09 98.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.673 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.7 mt -61.89 -50.32 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.694 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.64 -37.17 78.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.401 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -57.62 -46.9 83.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.644 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.79 -44.76 72.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.5 mm-40 -58.86 -46.51 87.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.47 -38.7 92.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.769 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.36 -40.68 93.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.168 0.508 . . . . 0.0 109.737 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.45 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -60.74 -46.96 93.45 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.21 176.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 44' ' ' GLU . 89.5 t -59.97 -40.3 82.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.982 0.42 . . . . 0.0 110.532 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -54.83 -47.68 73.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.505 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.0 t -72.28 -42.35 65.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.325 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.45 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 12.5 m-85 -61.33 -36.28 79.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.416 0.151 . . . . 0.0 111.219 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -59.87 -45.64 91.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.22 0.533 . . . . 0.0 109.831 174.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -63.27 -43.71 97.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.956 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.15 90.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.6 -37.68 87.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.936 0.398 . . . . 0.0 111.049 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -80.37 -20.12 44.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.601 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -78.16 -39.22 41.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.791 173.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.81 108.77 0.34 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.269 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -89.43 12.34 16.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.072 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -139.62 126.32 12.46 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 174.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -60.32 -26.68 83.25 Favored 'Trans proline' 0 N--CA 1.473 0.323 0 C-N-CA 123.484 2.789 . . . . 0.0 114.692 -169.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -60.89 -47.74 85.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 111.5 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.476 ' O ' HG13 ' A' ' 67' ' ' ILE . 56.8 mtmt -77.63 -26.7 50.72 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.457 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -66.42 -36.9 83.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.15 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.08 -39.54 94.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.196 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.533 HG22 HD22 ' A' ' 115' ' ' ASN . 53.3 t -64.65 -42.96 96.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.038 176.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 63' ' ' LYS . 87.0 mt -62.32 -45.02 99.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.037 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.09 -41.3 96.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.223 0.535 . . . . 0.0 110.519 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.37 -45.56 88.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.504 176.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 78.3 mt -68.05 -39.11 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.765 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.69 -45.52 81.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.019 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.41 -45.09 92.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.478 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -66.11 -38.77 89.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.656 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 35.1 mm-40 -68.1 -43.21 78.96 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.415 177.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 10.6 mm-40 -61.02 -35.08 75.92 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.698 0.761 . . . . 0.0 110.275 173.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.506 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 28.0 ttmt -63.68 -43.08 97.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.949 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -60.77 -46.05 91.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.356 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.526 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 68.2 mt -58.59 -41.73 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.372 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.44 -41.91 90.71 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.311 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -61.01 -44.97 96.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.311 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -68.05 -34.03 75.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.16 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 78' ' ' ILE . 33.9 mmtp -60.07 -50.85 72.07 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.947 0.403 . . . . 0.0 110.335 176.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.19 80.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.42 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.49 -34.88 72.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.5 m -71.7 -9.56 58.45 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.806 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.65 ' HA ' ' HE2' ' A' ' 86' ' ' LYS . 10.8 mmpt? -79.84 -65.75 0.96 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.756 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -143.5 101.89 3.85 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.331 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -179.58 96.47 0.1 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.152 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -95.44 105.65 17.64 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.811 -0.229 . . . . 0.0 110.957 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 71.89 -57.46 0.61 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.154 0.909 . . . . 0.0 113.22 173.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -60.67 -50.37 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.993 0.425 . . . . 0.0 111.581 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -67.41 -34.11 76.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.687 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.402 ' O ' HG22 ' A' ' 97' ' ' VAL . 37.2 t80 -72.29 -44.01 63.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.966 -173.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.69 88.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.026 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 m -70.69 -40.8 72.67 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.63 -47.93 84.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.164 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 93' ' ' PHE . 98.7 t -62.46 -41.79 93.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.203 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.77 -45.68 85.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.967 -177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.68 -44.4 86.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -58.86 -38.45 78.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.966 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.679 HD11 ' HG2' ' A' ' 19' ' ' LYS . 4.5 tt -59.52 -48.43 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.124 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.696 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -64.56 -40.04 94.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.229 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.88 -49.44 77.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.371 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -63.9 -38.24 90.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.99 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -62.07 -32.81 73.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.348 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.569 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 1.7 tpm_? -67.45 -40.53 85.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.329 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -60.37 -49.01 79.3 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.14 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.802 HG13 HD13 ' A' ' 8' ' ' LEU . 95.3 t -58.45 -43.63 87.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.435 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 5.2 mm-40 -57.19 -42.89 82.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.277 178.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -60.7 -46.14 91.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.029 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.7 -46.38 94.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.465 -178.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.71 -26.66 67.12 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.678 -177.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.482 ' HB2' ' HZ3' ' A' ' 113' ' ' LYS . 9.6 mtmp? -83.75 34.9 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.649 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 70.99 1.72 3.92 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.433 0.693 . . . . 0.0 111.587 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.533 HD22 HG22 ' A' ' 66' ' ' VAL . 2.6 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.356 -176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtm . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 121.049 0.452 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 4.6 p-10 -139.5 147.95 41.99 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -69.65 -12.56 61.73 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -169.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.0 tp -89.17 -54.34 4.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.869 0.366 . . . . 0.0 110.573 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.535 ' HB2' ' OD1' ' A' ' 2' ' ' ASP . 0.6 OUTLIER -63.64 -45.75 88.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.735 -176.367 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.629 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 11.5 mm-40 -63.68 -38.48 91.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.992 0.425 . . . . 0.0 110.356 -176.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 51' ' ' TYR . 22.3 tp -69.89 -49.45 52.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.597 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.2 tp -63.3 -45.6 90.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.476 -175.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.629 ' HE3' ' HA ' ' A' ' 6' ' ' GLU . 17.7 ptpt -62.4 -35.26 78.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.704 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.65 81.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.361 . . . . 0.0 110.744 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.95 -46.73 83.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.437 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.89 -30.37 71.37 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.383 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -63.46 -43.87 96.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.088 0.47 . . . . 0.0 110.608 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.511 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -64.35 -40.76 98.11 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.968 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.91 -43.36 88.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.931 0.396 . . . . 0.0 110.544 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -59.91 -45.3 92.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.972 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.437 ' O ' HG21 ' A' ' 21' ' ' VAL . 80.5 mt -61.69 -45.08 99.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.966 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.9 mt -60.52 -42.18 95.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.294 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -62.92 -41.0 99.3 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.564 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.566 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -61.85 -49.23 77.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.59 178.051 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.464 HG22 HD11 ' A' ' 36' ' ' LEU . 73.9 t -66.71 -40.01 85.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.245 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.97 -41.4 91.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.379 0.609 . . . . 0.0 110.203 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 22.6 ttpt -60.93 -50.28 74.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.982 0.896 . . . . 0.0 110.206 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 44.2 mtpt -71.53 -23.74 61.82 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.061 -175.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -70.19 -25.77 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.249 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 47.7 mtmt -64.97 -29.58 70.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.992 0.425 . . . . 0.0 110.671 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -78.39 -46.71 19.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.038 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.65 49.29 3.67 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.88 172.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 10.1 t70 -91.66 120.51 32.49 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 171.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.31 -50.68 69.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.375 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -64.27 -37.98 89.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.8 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.542 ' HB3' ' HB3' ' A' ' 29' ' ' ASP . 9.9 tp10 -61.03 -48.94 79.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.427 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 25' ' ' ALA . 83.1 mt -62.08 -41.29 98.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.103 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.71 76.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.243 0.544 . . . . 0.0 110.577 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -68.93 -47.42 65.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.871 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 HD11 HG22 ' A' ' 21' ' ' VAL . 97.0 mt -65.14 -35.14 80.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.302 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' O ' HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -55.32 -43.94 75.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.302 -179.788 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -63.86 -38.74 92.22 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.411 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.99 -39.45 75.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.419 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -62.35 -47.64 92.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.623 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 37' ' ' ASN . 95.1 t -59.32 -46.05 92.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.929 -178.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.19 -39.77 93.31 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.957 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.67 -47.42 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.591 0.234 . . . . 0.0 111.087 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' HG21 ' A' ' 48' ' ' VAL . 10.2 mm-40 -63.37 -44.98 93.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -58.74 -44.61 90.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.962 0.41 . . . . 0.0 110.727 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.478 ' O ' HG23 ' A' ' 50' ' ' VAL . 54.5 tp60 -66.22 -47.0 75.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.321 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.65 -45.95 94.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.499 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 44' ' ' GLU . 69.0 t -60.24 -38.95 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.711 0.291 . . . . 0.0 110.825 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.631 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 62.0 tttm -61.58 -46.47 89.73 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 46' ' ' GLN . 77.0 t -59.87 -41.52 86.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 123.246 0.341 . . . . 0.0 110.989 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.436 ' CD1' HD13 ' A' ' 7' ' ' LEU . 30.5 m-85 -58.4 -46.16 86.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.791 0.329 . . . . 0.0 110.42 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -67.98 -33.95 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.974 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.631 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 58.7 mm-40 -58.47 -50.14 74.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.154 0.502 . . . . 0.0 109.933 175.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.24 -33.74 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.568 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.46 78.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.677 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -79.97 -8.13 59.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.2 0.524 . . . . 0.0 111.028 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -113.41 7.46 17.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.124 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.14 137.28 53.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.496 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.466 ' N ' ' HD3' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -95.08 -20.65 19.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.146 -178.556 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 4.4 t-20 -115.38 113.47 43.21 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.123 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 11.4 Cg_endo -55.68 -33.76 88.43 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.103 2.535 . . . . 0.0 112.711 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.3 mp0 -62.77 -44.67 95.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 178.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.5 -29.26 61.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.55 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -63.73 -37.77 88.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.907 177.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -66.14 -39.3 89.74 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.606 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 62' ' ' GLU . 64.0 t -59.85 -45.54 94.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.99 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.94 -44.55 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.342 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.19 -42.9 96.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.082 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -59.39 -45.92 90.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.435 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.76 -39.25 84.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.181 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.99 -41.35 82.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.803 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.77 -45.87 88.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.587 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -67.84 -39.77 83.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.175 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.468 ' O ' HG13 ' A' ' 78' ' ' ILE . 16.0 mm-40 -65.93 -41.52 91.24 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.25 176.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -57.57 -41.83 81.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.637 0.732 . . . . 0.0 109.958 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.45 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 28.0 ttmt -60.84 -45.62 93.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.321 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 48.1 m170 -60.84 -42.17 97.26 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.427 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.9 mt -59.4 -45.93 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.551 177.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.8 -41.16 99.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.059 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -59.84 -45.33 92.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.955 0.407 . . . . 0.0 110.195 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -69.48 -30.0 67.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.621 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -59.57 -47.49 85.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.711 0.291 . . . . 0.0 110.894 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.32 -35.61 68.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.934 0.397 . . . . 0.0 111.521 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.6 -30.5 65.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -175.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.2 p -74.32 74.9 1.86 Allowed 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -171.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 18.3 tttp -175.63 97.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.234 173.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 86' ' ' LYS . 2.8 mp0 69.84 120.23 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.785 0.678 . . . . 0.0 110.431 -172.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.43 103.23 2.41 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.733 -0.746 . . . . 0.0 113.264 -170.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -81.4 115.63 20.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.69 -47.32 67.31 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -172.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -61.87 -47.63 84.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.855 0.359 . . . . 0.0 111.068 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -71.49 -39.45 70.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.269 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -64.25 -43.9 93.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.931 0.396 . . . . 0.0 110.183 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.13 87.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.66 177.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.0 m -65.84 -41.05 92.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.706 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.0 -47.92 81.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.458 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.3 t -66.17 -38.42 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.064 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.46 -46.47 89.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.898 0.38 . . . . 0.0 110.832 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -38.35 77.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.453 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.4 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 22.5 t-160 -62.64 -43.59 98.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.322 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.3 tt -57.44 -49.23 76.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.423 -178.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -61.46 -36.77 81.33 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.731 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.493 ' HA ' ' HD3' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -67.79 -39.62 84.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.867 0.365 . . . . 0.0 110.769 -179.477 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.454 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 38.9 mm-40 -66.87 -32.36 73.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.02 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 95.9 mt-30 -60.61 -40.95 93.73 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.087 175.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.493 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 61.7 mtp180 -62.43 -34.46 76.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.93 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.452 ' O ' HG13 ' A' ' 111' ' ' ILE . 57.0 m170 -65.52 -46.44 79.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.62 -41.68 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.939 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 44.7 mm-40 -56.56 -44.28 80.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.711 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -67.58 -39.17 84.87 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.814 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 107' ' ' HIS . 80.3 mt -66.0 -47.55 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.651 0.262 . . . . 0.0 111.179 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.72 -32.06 70.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 111.431 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.693 ' HB2' ' HZ2' ' A' ' 113' ' ' LYS . 10.6 mtmp? -94.32 13.55 23.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.711 -176.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.819 ' HE2' ' HA ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -125.16 101.23 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.394 0.616 . . . . 0.0 111.512 -179.097 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.021 -0.99 . . . . 0.0 108.969 171.77 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.034 0.445 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -110.64 165.36 11.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.415 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' CD ' ' HZ1' ' A' ' 57' ' ' LYS . 2.3 mp0 -58.92 -64.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.469 -176.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.7 tp 68.57 -47.76 0.55 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.643 0.777 . . . . 0.0 112.165 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -60.41 -44.94 95.23 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 122.482 0.313 . . . . 0.0 111.552 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.62 -32.05 73.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.948 0.404 . . . . 0.0 110.784 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.1 tp -67.94 -43.74 78.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.795 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.61 HD11 HG13 ' A' ' 108' ' ' VAL . 50.5 tp -59.78 -46.92 87.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.269 176.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 47.5 mtpt -57.77 -35.67 71.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.454 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.75 92.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.73 0.3 . . . . 0.0 110.763 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -64.17 -44.82 90.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.557 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 96.4 mt-30 -59.69 -42.11 92.26 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.484 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 17' ' ' ILE . 28.5 tt0 -63.15 -42.41 99.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.496 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.503 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.02 -42.84 99.54 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.971 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.28 -41.58 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 110.297 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -55.37 -47.51 75.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.374 0.607 . . . . 0.0 109.923 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.581 ' O ' HG21 ' A' ' 21' ' ' VAL . 82.9 mt -60.59 -47.23 93.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.959 177.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.572 HD21 HG11 ' A' ' 97' ' ' VAL . 94.8 mt -58.42 -39.58 80.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -62.62 -45.69 91.69 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.231 0.539 . . . . 0.0 110.534 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -43.48 98.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.704 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.581 HG21 ' O ' ' A' ' 17' ' ' ILE . 58.0 t -67.81 -43.53 86.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.173 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.38 -37.09 79.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 110.321 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.19 -51.43 53.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.977 176.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -66.73 -22.4 66.06 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.692 -1.14 . . . . 0.0 112.808 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -26.18 66.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.984 0.421 . . . . 0.0 110.665 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' ' 26' ' ' LYS . 29.6 mmmt -70.6 -28.56 64.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.087 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.8 -37.28 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.287 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.95 24.43 57.88 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.721 173.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.8 t70 -94.02 123.69 37.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.102 0.451 . . . . 0.0 110.328 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.03 -38.42 79.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.547 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -62.88 -44.55 95.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.569 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.4 tp10 -60.64 -47.58 85.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.407 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 96.8 mt -62.05 -40.28 95.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.31 -34.19 77.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.128 0.49 . . . . 0.0 110.6 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -45.72 71.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.666 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 21' ' ' VAL . 82.8 mt -62.86 -43.2 99.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.031 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -56.83 -46.34 81.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.509 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -41.37 79.57 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.924 176.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.66 -41.31 83.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.743 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.495 HD13 HG23 ' A' ' 21' ' ' VAL . 74.3 mt -61.66 -50.23 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.696 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.04 -37.31 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.184 0.516 . . . . 0.0 110.282 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -62.79 -46.85 86.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.188 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.22 73.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.315 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' HG21 ' A' ' 48' ' ' VAL . 13.8 mm-40 -59.45 -45.67 90.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.55 -39.68 95.03 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.75 0.31 . . . . 0.0 110.657 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -61.73 -45.66 92.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.857 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.48 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -58.93 -39.55 94.21 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.235 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 44' ' ' GLU . 53.2 t -55.92 -41.83 68.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.667 0.27 . . . . 0.0 111.259 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 82.4 tttt -65.68 -39.41 91.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.84 -38.21 82.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.513 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.825 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 45.7 m-85 -66.58 -36.73 83.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 175.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 55.6 tttp -57.47 -47.23 82.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.145 0.498 . . . . 0.0 110.029 173.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.53 -49.58 75.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.256 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.87 -34.37 76.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.758 -177.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.44 -37.81 83.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.817 0.341 . . . . 0.0 111.34 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 70.6 mt-10 -82.96 -32.59 27.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.2 0.524 . . . . 0.0 110.176 -178.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.48 ' HZ1' ' CD ' ' A' ' 3' ' ' GLU . 36.9 mtpt -89.53 12.21 17.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.859 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.56 104.75 4.63 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.565 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -70.17 -42.51 72.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.686 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -91.59 121.81 66.73 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.202 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -64.4 -31.78 61.46 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.141 2.561 . . . . 0.0 113.481 -175.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -63.2 -43.72 97.37 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.94 0.4 . . . . 0.0 110.548 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.49 -33.92 77.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.344 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -60.71 -43.58 97.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -66.03 -40.69 91.25 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.733 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 70' ' ' ILE . 62.1 t -59.68 -46.65 93.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.024 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.77 -41.13 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.855 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.85 -43.82 97.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.18 -44.96 95.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.954 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 66' ' ' VAL . 62.1 mt -64.97 -36.15 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.883 0.373 . . . . 0.0 110.26 178.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.825 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -55.31 -40.51 71.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.883 174.331 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.82 -45.12 79.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.834 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.612 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 68.8 m-20 -57.56 -45.95 84.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.713 -178.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -69.29 -41.31 76.98 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.308 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -59.84 -41.47 91.46 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.612 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 14.5 ttmm -57.63 -41.02 80.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.629 177.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -63.47 -35.46 80.54 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.772 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.08 -45.38 94.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.932 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 21.3 mm-40 -59.58 -39.8 85.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.694 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.478 ' HB3' HD11 ' A' ' 96' ' ' LEU . 52.2 m0 -59.98 -44.78 94.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.989 0.423 . . . . 0.0 110.02 175.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -69.64 -28.55 66.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.732 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 5.2 mmmm -57.69 -46.02 84.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.993 0.425 . . . . 0.0 109.911 174.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.4 -32.44 66.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.251 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.89 -30.65 67.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.898 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.5 t -64.01 115.04 4.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.272 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.2 tttp 73.9 -51.73 0.69 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.681 0.792 . . . . 0.0 112.276 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -82.29 7.26 14.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.589 0.233 . . . . 0.0 111.576 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.64 116.94 4.85 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.427 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -71.88 157.45 37.84 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.28 -34.91 66.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.17 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -61.35 -48.75 79.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.342 0.591 . . . . 0.0 110.58 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -66.93 -42.1 85.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.895 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -63.27 -42.95 99.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.569 -175.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.01 -39.61 95.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.601 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 t -67.9 -36.7 80.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.159 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 80' ' ' TRP . 51.5 tp -66.07 -46.79 76.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.657 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.572 HG11 HD21 ' A' ' 18' ' ' LEU . 71.0 t -61.51 -37.6 78.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.767 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.22 -40.94 98.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.705 176.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -67.06 -45.57 76.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.505 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 17.6 t-160 -60.17 -36.45 77.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.815 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.3 -49.49 76.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.297 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.48 -43.53 93.86 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 120.78 0.324 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -51.26 67.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.179 177.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.541 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 10.6 mm-40 -70.59 -36.01 73.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.573 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 18.1 mt-30 -60.45 -42.58 96.44 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.829 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -64.2 -39.57 94.27 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.986 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.424 ' O ' HG13 ' A' ' 111' ' ' ILE . 53.1 m170 -58.97 -44.86 91.61 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.61 HG13 HD11 ' A' ' 8' ' ' LEU . 68.0 t -62.97 -42.33 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.335 175.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 5.2 mm-40 -57.25 -45.08 84.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.198 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -40.57 78.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.2 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 107' ' ' HIS . 81.2 mt -66.06 -41.12 88.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.218 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -68.23 -25.65 65.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.919 0.39 . . . . 0.0 111.397 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.524 ' HB3' ' H ' ' A' ' 114' ' ' LYS . 20.9 mmmt -76.54 -145.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.573 175.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.524 ' H ' ' HB3' ' A' ' 113' ' ' LYS . 8.5 tmtm? -146.71 -50.15 0.2 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 C--O 1.248 0.992 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.665 169.616 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -66.68 113.19 4.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.613 0.721 . . . . 0.0 109.757 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -98.72 102.86 14.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.952 -170.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -128.24 -8.13 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -174.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 36.7 mmt180 -64.48 -36.65 84.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.05 -39.83 65.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 110.906 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.87 -38.98 83.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.292 0.568 . . . . 0.0 110.179 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 108' ' ' VAL . 26.0 tp -60.88 -40.5 93.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.916 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 5' ' ' ARG . 92.4 mttt -58.66 -35.96 73.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.601 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.35 85.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.609 0.242 . . . . 0.0 110.933 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.0 -42.81 99.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.163 0.506 . . . . 0.0 110.085 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.395 175.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -62.28 -40.01 94.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.426 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -65.58 -41.29 96.18 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.328 175.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.471 HG21 HD12 ' A' ' 101' ' ' LEU . 79.4 mt -59.04 -40.52 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.828 0.347 . . . . 0.0 110.392 175.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -60.17 -42.7 95.54 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.528 ' O ' HG22 ' A' ' 21' ' ' VAL . 76.2 mt -66.33 -46.03 88.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.549 176.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -59.74 -38.45 81.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.877 178.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -64.0 -42.88 97.03 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.07 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' CD ' ' HZ3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -59.51 -45.5 91.56 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.472 177.299 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 17' ' ' ILE . 42.8 t -66.7 -39.45 83.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.896 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.08 -36.12 82.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.561 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -64.83 -52.12 58.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.847 0.832 . . . . 0.0 109.875 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.452 ' HZ3' ' CD ' ' A' ' 20' ' ' GLU . 49.9 mttp -66.77 -21.7 66.05 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.204 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.04 -33.79 69.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.069 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -68.11 -28.29 67.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.96 0.409 . . . . 0.0 110.819 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.56 -43.49 38.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.8 26.56 71.01 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.46 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.465 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 14.8 t70 -72.81 120.82 18.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.997 0.427 . . . . 0.0 110.494 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -62.37 -41.11 98.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.591 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -68.67 -44.44 74.06 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.384 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -62.31 -49.2 76.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.868 178.36 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 84.9 mt -60.48 -37.12 80.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.575 -176.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.62 99.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.426 ' HA ' ' HD2' ' A' ' 35' ' ' ARG . 16.5 tpt180 -68.24 -44.11 76.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.49 . . . . 0.0 110.192 177.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 40' ' ' ILE . 94.7 mt -58.26 -44.64 88.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.611 -178.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -57.93 -47.72 82.06 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -39.67 92.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.042 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.99 -41.16 95.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.528 HD11 HG21 ' A' ' 21' ' ' VAL . 80.5 mt -60.01 -50.31 80.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 78' ' ' ILE . 76.5 t -58.55 -43.95 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.719 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.401 ' HZ3' ' HB3' ' A' ' 42' ' ' LYS . 2.5 ttpm? -62.98 -39.93 96.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.5 -47.81 71.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.456 ' O ' HG22 ' A' ' 48' ' ' VAL . 6.8 mm-40 -60.07 -42.39 94.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.342 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -58.84 -44.62 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.791 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -66.28 -42.61 88.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.265 0.555 . . . . 0.0 110.158 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -41.64 98.12 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.091 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.491 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 44.7 t -57.1 -44.4 83.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 C-N-CA 122.33 0.252 . . . . 0.0 111.124 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.53 ' HE3' ' HG2' ' A' ' 53' ' ' GLU . 2.8 tptt -56.17 -47.87 77.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.04 -38.66 81.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.614 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 3.0 m-85 -61.13 -43.3 99.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.664 175.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 73.2 mmtt -56.9 -43.89 81.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 177.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.53 ' HG2' ' HE3' ' A' ' 49' ' ' LYS . 53.8 mm-40 -68.28 -48.55 64.69 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.026 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.58 -33.68 71.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.843 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.49 -38.61 69.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.582 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -88.92 -9.68 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 0.0 110.996 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.768 ' HE2' ' HA ' ' A' ' 57' ' ' LYS . 10.2 mmpt? -79.22 -18.9 52.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.253 0.549 . . . . 0.0 109.786 174.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.15 105.71 3.02 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.849 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -69.28 -29.99 67.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.631 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -98.11 130.34 28.79 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.593 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.34 -34.53 97.71 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.301 2.667 . . . . 0.0 112.797 -177.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.06 -42.57 84.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.213 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.52 -37.82 88.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.123 0.487 . . . . 0.0 110.031 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -64.0 -37.02 85.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.719 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.7 -44.52 96.78 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.443 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 70' ' ' ILE . 57.2 t -61.46 -48.56 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.456 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.18 -45.19 99.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.021 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.18 -46.0 89.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.074 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 69' ' ' LYS . 21.6 mtpp -59.98 -46.66 88.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.628 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 66' ' ' VAL . 68.7 mt -61.26 -39.93 84.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.189 0.518 . . . . 0.0 110.1 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.624 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 2.1 mt -57.33 -45.45 84.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.984 176.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.58 -43.32 99.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.016 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.16 -43.04 96.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.424 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.25 -37.97 89.39 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.515 0.198 . . . . 0.0 110.544 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 61.3 mm-40 -57.44 -40.98 79.59 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.378 0.609 . . . . 0.0 109.96 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -69.46 -38.17 77.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.451 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -57.07 -50.39 72.92 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.204 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.57 HG21 ' HE3' ' A' ' 82' ' ' LYS . 56.4 mt -60.39 -39.17 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.663 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.58 -40.98 96.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.078 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -59.97 -44.87 94.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.031 0.444 . . . . 0.0 110.742 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -69.38 -30.56 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.65 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.57 ' HE3' HG21 ' A' ' 78' ' ' ILE . 97.3 mttt -59.62 -47.47 85.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 0.0 110.23 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.91 95.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.999 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.44 -30.19 69.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.115 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.3 t -74.7 -4.55 38.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.19 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -98.85 -55.64 2.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -147.21 102.43 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.304 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -165.55 144.13 9.0 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.954 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -103.74 -179.02 3.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.757 0.313 . . . . 0.0 110.374 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.58 80.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.804 -173.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.45 -48.47 80.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.795 0.331 . . . . 0.0 111.707 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -70.17 -37.03 75.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.923 0.392 . . . . 0.0 110.663 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 97' ' ' VAL . 58.0 t80 -63.76 -46.57 84.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.129 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.08 -35.67 75.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.993 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.8 t -70.35 -38.35 74.8 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.44 -47.48 83.87 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.475 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 93' ' ' PHE . 89.6 t -57.85 -43.87 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.534 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 52.6 tt0 -63.83 -43.25 96.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.974 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.51 -44.18 96.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.967 0.413 . . . . 0.0 110.494 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -60.16 -43.28 95.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.928 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.651 ' HG ' HE21 ' A' ' 105' ' ' GLN . 52.0 tp -57.57 -43.08 84.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.338 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 18.2 mm-40 -57.42 -43.42 83.77 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.553 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -69.09 -47.19 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.511 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -60.58 -33.1 72.22 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.95 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.651 HE21 ' HG ' ' A' ' 101' ' ' LEU . 76.0 mt-30 -60.97 -49.55 77.01 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.105 0.479 . . . . 0.0 110.381 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -67.11 -31.42 71.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.666 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -56.96 -50.8 71.54 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 173.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.593 ' O ' ' HB2' ' A' ' 112' ' ' GLU . 92.5 t -60.23 -46.13 95.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.415 178.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.73 -35.3 74.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.262 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -71.85 -49.35 39.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.486 ' HB ' HD12 ' A' ' 8' ' ' LEU . 64.8 mt -71.18 -35.31 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.715 -175.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.593 ' HB2' ' O ' ' A' ' 108' ' ' VAL . 1.8 tm-20 -55.18 -27.26 44.51 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 123.411 0.684 . . . . 0.0 112.453 -176.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -87.67 -103.68 0.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.953 0.406 . . . . 0.0 111.697 -174.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -147.93 -55.92 0.22 Allowed 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.043 -176.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.164 -176.486 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -102.79 90.59 3.85 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -76.22 49.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.287 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.4 tp -151.82 -63.86 0.18 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.141 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -72.88 -44.0 61.84 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.681 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -61.78 -40.13 94.1 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.08 0.467 . . . . 0.0 110.283 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.47 ' HG ' ' CZ ' ' A' ' 51' ' ' TYR . 7.7 tp -69.89 -49.65 50.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.719 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.679 HD11 HG12 ' A' ' 108' ' ' VAL . 24.1 tp -64.63 -46.61 81.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.474 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 8.7 mtpm? -59.28 -34.19 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.944 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.49 84.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.992 0.425 . . . . 0.0 110.643 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.569 ' HG2' ' HH ' ' A' ' 51' ' ' TYR . 6.0 mm-40 -70.4 -45.33 66.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.66 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -60.08 -34.22 73.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.322 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -61.17 -44.13 97.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.027 0.441 . . . . 0.0 109.941 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.593 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -71.18 -40.18 61.73 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.946 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 11' ' ' GLU . 67.9 mt -58.35 -43.52 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.758 0.314 . . . . 0.0 110.766 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -59.16 -45.77 90.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.648 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 21' ' ' VAL . 87.7 mt -64.5 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.062 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 91.4 mt -63.78 -39.37 94.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.909 0.385 . . . . 0.0 110.569 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -66.58 -37.67 85.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.436 174.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 17' ' ' ILE . 41.7 mm-40 -59.68 -48.0 83.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.879 176.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 17' ' ' ILE . 59.8 t -64.52 -42.71 95.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.68 -37.63 87.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.103 0.478 . . . . 0.0 110.735 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -70.17 -51.35 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.906 0.86 . . . . 0.0 109.85 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HD3' ' CG ' ' A' ' 32' ' ' GLU . 67.3 mttm -64.14 -21.68 66.64 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.257 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.51 -25.97 68.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.673 0.273 . . . . 0.0 110.745 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.734 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 11.2 mmpt? -71.72 -29.48 64.59 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.172 0.51 . . . . 0.0 109.831 176.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.9 -46.36 45.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.513 174.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.04 63.71 3.05 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.353 -0.839 . . . . 0.0 113.5 172.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.8 t70 -123.9 133.79 53.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.604 -0.351 . . . . 0.0 110.558 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.21 -39.25 89.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.629 -176.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -66.61 -45.08 80.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.453 0.644 . . . . 0.0 109.58 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.4 tp10 -60.3 -49.54 77.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.606 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 91.8 mt -63.59 -38.21 90.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.18 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.96 99.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.59 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -65.61 -40.14 92.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.956 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.505 HD12 HG21 ' A' ' 21' ' ' VAL . 90.5 mt -64.13 -41.39 97.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.777 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -58.11 -45.73 86.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -59.13 -42.07 89.77 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.815 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HG3' HD11 ' A' ' 17' ' ' ILE . 9.2 tp10 -64.76 -39.89 94.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.702 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 36' ' ' LEU . 82.1 mt -61.26 -50.66 79.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-O 120.96 0.41 . . . . 0.0 110.777 177.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.66 -42.73 95.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.804 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -64.28 -47.91 77.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.511 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.88 -49.85 41.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.575 ' O ' HG21 ' A' ' 48' ' ' VAL . 14.6 tt0 -70.73 -42.92 69.9 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.359 -172.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HE3' HD12 ' A' ' 78' ' ' ILE . 22.0 ttmt -60.91 -36.87 80.4 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.714 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -61.3 -46.09 91.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.14 -37.01 94.23 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.572 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.575 HG21 ' O ' ' A' ' 44' ' ' GLU . 88.8 t -56.93 -41.53 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 tmtt? -65.14 -45.59 84.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.24 -43.1 92.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.477 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.569 ' HH ' ' HG2' ' A' ' 11' ' ' GLU . 9.3 m-85 -61.68 -43.18 99.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 176.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -63.41 -40.6 97.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.161 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 19.4 mm-40 -62.1 -45.5 93.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.833 175.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.05 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.487 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.13 -41.43 83.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 0.0 110.82 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.72 -0.13 49.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.736 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -109.4 -16.22 14.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.597 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.4 -20.99 59.85 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.23 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 70.61 -70.53 0.15 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.448 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 48.5 t30 -66.52 123.26 85.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.768 -175.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 9.1 Cg_endo -51.27 -25.82 18.82 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 124.026 3.151 . . . . 0.0 113.704 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 66' ' ' VAL . 26.0 tt0 -64.29 -46.0 85.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.269 0.556 . . . . 0.0 110.6 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.85 -31.19 63.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.429 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -62.79 -43.01 99.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.289 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -67.35 -37.12 82.74 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 62' ' ' GLU . 89.2 t -60.25 -47.54 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 110.129 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 71.6 mt -68.0 -38.55 80.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.485 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.63 -44.89 85.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.429 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -60.09 -44.81 94.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.073 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.641 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 62.1 mt -63.79 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.074 0.464 . . . . 0.0 109.896 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.97 -50.15 73.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.713 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.618 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 11.9 tt0 -57.31 -44.93 84.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.457 0.473 . . . . 0.0 111.149 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -69.09 -37.02 78.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.695 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 21.9 mm-40 -67.78 -38.39 83.3 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.261 177.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.618 ' OE1' ' HA ' ' A' ' 72' ' ' GLU . 3.0 mt-10 -57.3 -40.81 78.64 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.741 0.781 . . . . 0.0 109.724 171.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.511 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 28.3 ttmt -68.76 -40.05 79.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.217 -177.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -61.73 -39.42 91.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.454 HD12 ' HE3' ' A' ' 45' ' ' LYS . 69.4 mt -64.15 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.367 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 46.4 mt-10 -59.69 -41.19 90.16 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.985 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -63.5 -45.29 91.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.997 0.427 . . . . 0.0 111.066 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -67.98 -29.62 68.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.896 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 90.4 mttt -59.41 -42.68 92.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.902 0.382 . . . . 0.0 110.334 175.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.21 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.771 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.09 -31.07 68.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.245 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m -71.7 -27.61 63.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.233 0.539 . . . . 0.0 110.82 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 86' ' ' LYS . 4.2 tmmm? -86.09 75.65 9.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.375 -176.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 54.73 93.67 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.307 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.67 -167.37 10.96 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.557 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -111.29 147.37 35.22 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.43 -39.92 92.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.216 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -40.93 96.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.212 0.53 . . . . 0.0 110.136 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -68.4 -38.7 81.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.627 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -64.83 -45.45 86.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.159 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.27 90.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.704 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 62.5 m -64.13 -37.89 89.09 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.998 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.88 -47.12 72.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.1 0.476 . . . . 0.0 110.451 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.5 HG21 HG11 ' A' ' 21' ' ' VAL . 70.7 t -61.0 -39.42 82.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.186 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.91 -44.41 94.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 0.0 110.561 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -67.33 -40.78 85.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.392 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -60.65 -41.04 94.19 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.845 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.455 ' HA ' HD11 ' A' ' 18' ' ' LEU . 62.2 tp -58.58 -47.42 84.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.149 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -60.85 -38.73 86.54 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.31 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.63 -50.73 68.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.079 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -64.53 -37.47 87.65 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.295 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.42 -44.89 95.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -67.87 -32.85 73.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.34 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -58.01 -51.81 68.1 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.005 0.431 . . . . 0.0 110.377 175.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.679 HG12 HD11 ' A' ' 8' ' ' LEU . 87.3 t -64.57 -38.6 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.957 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.41 -35.82 70.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.444 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.12 -40.54 71.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.992 0.425 . . . . 0.0 110.569 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.06 -36.75 77.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.27 0.557 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.02 -24.21 52.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.948 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -76.13 13.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -172.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.736 ' HZ1' ' HB3' ' A' ' 114' ' ' LYS . 9.4 mtpm? -89.92 138.71 31.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.041 0.448 . . . . 0.0 111.104 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.626 -0.702 . . . . 0.0 109.572 174.376 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -122.12 114.8 21.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.958 0.885 . . . . 0.0 112.571 -173.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -117.64 143.04 46.53 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 167.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.9 tp -54.11 -43.21 70.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.166 0.291 . . . . 0.0 111.303 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 13.9 mmt180 -67.07 -46.07 75.4 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.753 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 53.2 mm-40 -67.55 -36.88 81.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.665 0.269 . . . . 0.0 111.113 -178.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 tp -69.96 -43.31 71.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.968 0.413 . . . . 0.0 110.531 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.682 HD11 HG12 ' A' ' 108' ' ' VAL . 15.9 tp -63.97 -30.17 71.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.428 -178.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.753 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 50.8 mtpt -55.93 -35.69 66.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.511 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.85 87.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.79 0.328 . . . . 0.0 110.651 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -67.97 -43.72 78.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.251 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 89.1 mt-30 -62.26 -39.24 92.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.076 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 17' ' ' ILE . 55.6 tp60 -61.01 -44.54 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.987 0.422 . . . . 0.0 110.233 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.465 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.73 -46.43 75.42 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.975 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.7 mt -58.95 -43.4 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.826 0.346 . . . . 0.0 110.536 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -59.44 -46.48 88.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.909 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.442 HD11 ' HB2' ' A' ' 43' ' ' ALA . 74.6 mt -59.39 -47.84 89.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.611 176.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.1 mt -57.97 -43.8 86.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 111.184 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -61.32 -46.12 91.61 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.923 0.392 . . . . 0.0 110.814 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -44.5 90.57 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.645 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.541 HG21 HD23 ' A' ' 36' ' ' LEU . 39.6 t -60.12 -42.73 91.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.461 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.15 -43.42 92.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.011 0.434 . . . . 0.0 110.5 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 10.5 tmtt? -71.47 -46.93 58.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.634 0.73 . . . . 0.0 109.835 176.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.915 ' HG2' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -58.16 -37.45 74.73 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.924 -174.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.82 -25.66 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.943 0.401 . . . . 0.0 111.59 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mmtt -62.76 -27.77 69.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.365 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.43 -82.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -175.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.22 -31.22 7.72 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.51 -0.852 . . . . 0.0 113.994 -166.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.406 ' OD1' ' HB1' ' A' ' 90' ' ' ALA . 22.8 t70 68.68 149.64 0.07 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.788 0.435 . . . . 0.0 112.113 -177.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 58.0 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.115 0.966 . . . . 0.0 113.086 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -58.17 -39.98 80.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.24 0.543 . . . . 0.0 110.718 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.9 tp10 -66.47 -38.45 87.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.143 177.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.492 HD21 ' CD2' ' A' ' 93' ' ' PHE . 78.5 mt -62.32 -37.02 83.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.262 -177.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.55 -46.7 80.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.357 . . . . 0.0 111.129 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -62.1 -50.82 70.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.565 0.697 . . . . 0.0 110.474 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.915 HD21 ' HG2' ' A' ' 24' ' ' LYS . 80.1 mt -61.05 -42.86 99.27 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.537 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.419 HD21 ' HE1' ' A' ' 93' ' ' PHE . 25.2 t-20 -56.06 -48.27 76.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.673 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -45.82 90.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.279 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -66.11 -34.76 78.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.937 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 36' ' ' LEU . 80.4 mt -64.46 -48.88 83.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.951 0.405 . . . . 0.0 110.23 176.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.6 t -61.64 -37.55 78.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.415 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.437 ' C ' ' HD3' ' A' ' 42' ' ' LYS . 1.3 tmtp? -58.89 -46.4 87.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.436 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.442 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -61.96 -47.03 86.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.171 -178.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -61.29 -48.52 80.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.698 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -60.01 -39.63 86.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.403 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.81 -46.82 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.449 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.483 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -65.64 -45.66 88.14 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.962 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 44' ' ' GLU . 68.9 t -56.34 -38.57 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 120.674 0.274 . . . . 0.0 111.502 -176.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -64.85 -39.75 94.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.703 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.91 -41.59 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.651 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.483 ' HD2' ' O ' ' A' ' 47' ' ' GLY . 64.6 m-85 -67.53 -34.66 77.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -45.4 88.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -39.38 91.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.876 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.89 75.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.351 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.23 -37.37 87.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.11 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.52 -8.72 58.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -109.35 3.79 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.685 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.02 104.08 1.67 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.25 -176.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -70.1 -51.61 30.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.304 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -84.84 129.36 56.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.868 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.58 -32.97 96.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.75 2.3 . . . . 0.0 111.423 176.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.08 -43.06 93.4 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.669 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.25 -36.33 81.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.296 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -61.57 -37.67 84.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.435 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -46.08 92.19 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.791 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.06 -46.48 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.562 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.4 -46.7 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.744 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.75 -43.29 94.33 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.945 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -58.95 -45.77 89.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.315 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.445 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 79.3 mt -67.86 -39.33 81.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.427 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.73 -46.79 81.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -68.44 -45.03 73.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.538 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.581 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 2.0 m-20 -60.23 -40.13 89.12 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.78 -177.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 25.3 mm-40 -73.11 -34.6 66.25 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.363 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -40.52 82.9 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.758 0.79 . . . . 0.0 109.167 171.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.581 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 21.4 ttmt -57.22 -40.47 77.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.274 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -74.7 -39.77 61.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.163 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 74' ' ' GLU . 78.1 mt -57.11 -43.62 81.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.926 0.393 . . . . 0.0 110.052 176.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.3 -50.62 70.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.48 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.47 ' HB3' HD11 ' A' ' 96' ' ' LEU . 51.2 m0 -60.79 -47.36 86.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.135 0.493 . . . . 0.0 111.358 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -71.3 -30.91 66.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.859 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -68.03 -35.71 78.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.023 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.89 -34.6 76.97 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.068 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.43 -30.04 69.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.916 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.6 t -68.93 -16.91 63.87 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.341 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -84.6 -52.63 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.93 107.06 2.28 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -143.17 81.32 0.23 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.88 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -63.29 162.19 12.59 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.666 -0.124 . . . . 0.0 110.666 177.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.406 ' HB1' ' OD1' ' A' ' 29' ' ' ASP . . . -49.18 -37.89 24.05 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.581 0.551 . . . . 0.0 112.486 -175.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -60.65 -50.13 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.643 0.735 . . . . 0.0 110.199 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -72.44 -43.31 63.97 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.073 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.492 ' CD2' HD21 ' A' ' 33' ' ' LEU . 38.0 t80 -67.07 -46.31 74.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.434 -172.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.59 83.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 110.715 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -69.21 -39.12 78.78 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.14 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' ' 80' ' ' TRP . 48.7 tp -61.01 -46.19 91.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.856 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 93' ' ' PHE . 95.5 t -57.42 -41.65 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.01 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -64.91 -45.63 85.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -67.04 -36.63 82.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -65.87 -46.08 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.936 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -38.03 74.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.509 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.42 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 0.4 OUTLIER -62.06 -44.6 96.34 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 178.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.653 ' HA ' ' HD2' ' A' ' 106' ' ' ARG . 0.5 OUTLIER -67.64 -39.3 84.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.803 -177.304 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -65.77 -37.16 85.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.968 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.05 -33.69 76.33 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.805 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.653 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 95.6 mtt180 -65.5 -41.36 93.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.849 176.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.486 ' O ' HG13 ' A' ' 111' ' ' ILE . 61.4 m170 -58.87 -50.82 72.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.106 177.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.682 HG12 HD11 ' A' ' 8' ' ' LEU . 61.1 t -58.92 -46.01 91.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.105 0.479 . . . . 0.0 110.386 177.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.402 ' O ' ' HE2' ' A' ' 113' ' ' LYS . 17.2 mm-40 -58.24 -40.56 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.607 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -71.59 -37.46 70.98 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 107' ' ' HIS . 78.8 mt -72.36 -49.49 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -176.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -56.16 -39.18 71.94 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -170.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.402 ' HE2' ' O ' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -97.84 10.52 39.98 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.198 -173.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.81 ' HE2' ' HA ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -103.02 98.6 8.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.167 0.508 . . . . 0.0 110.762 -178.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.433 -0.794 . . . . 0.0 110.031 175.019 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 tpp . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -103.05 152.52 21.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.193 0.52 . . . . 0.0 111.713 -171.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.21 -52.28 55.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.794 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.1 tp -58.66 -33.33 69.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.91 -174.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -60.62 -43.59 97.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.975 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -72.35 -37.06 68.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.309 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.8 -41.53 95.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.999 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.4 tp -69.62 -45.59 68.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.291 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -57.95 -36.06 72.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.217 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.48 91.1 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.679 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.18 -43.86 97.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.012 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.34 -32.69 70.33 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.072 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -66.31 -43.82 85.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.437 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.51 -38.93 93.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.912 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.3 mt -60.14 -41.05 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.677 0.275 . . . . 0.0 110.699 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -58.92 -47.61 84.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.418 0.628 . . . . 0.0 110.086 176.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.48 ' O ' HG21 ' A' ' 21' ' ' VAL . 72.3 mt -60.35 -46.46 95.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.883 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.5 -39.39 79.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.107 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -63.68 -45.23 91.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.367 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -47.64 84.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.019 0.438 . . . . 0.0 110.329 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.524 HG23 HD13 ' A' ' 40' ' ' ILE . 61.8 t -68.45 -39.87 81.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.462 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.89 -41.56 96.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.963 0.411 . . . . 0.0 110.362 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -67.29 -49.61 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.69 0.757 . . . . 0.0 109.997 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HD2' ' HG2' ' A' ' 32' ' ' GLU . 2.2 tppp? -59.95 -23.24 63.4 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.449 -1.25 . . . . 0.0 111.643 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.25 -25.84 68.24 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.867 0.365 . . . . 0.0 111.05 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -69.35 -28.77 66.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.64 -45.87 60.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.71 22.42 72.3 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.021 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.67 119.26 21.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.066 0.46 . . . . 0.0 110.443 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.71 -36.84 85.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.114 -174.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -71.65 -44.13 64.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.975 0.417 . . . . 0.0 110.678 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.1 tp10 -64.09 -49.5 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.985 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.98 -36.51 81.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.331 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.29 -48.01 81.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.819 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 29.0 ttt180 -66.04 -47.46 74.3 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.006 0.432 . . . . 0.0 110.446 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.497 ' O ' HG13 ' A' ' 40' ' ' ILE . 60.3 mt -58.17 -34.61 70.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.75 -176.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 41' ' ' VAL . 65.0 t30 -60.44 -48.01 83.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -60.12 -40.05 88.4 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.878 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 5.3 mm-40 -60.35 -39.63 87.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.598 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.524 HD13 HG23 ' A' ' 21' ' ' VAL . 74.7 mt -66.18 -48.7 80.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.338 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 37' ' ' ASN . 60.9 t -56.63 -43.86 79.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.393 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -61.86 -45.92 91.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.1 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.07 75.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.247 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.611 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.0 mm-40 -61.65 -48.11 82.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -59.07 -42.79 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.808 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -68.85 -44.61 73.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.24 -46.45 94.44 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.102 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 44' ' ' GLU . 25.2 t -61.93 -35.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.117 0.484 . . . . 0.0 110.602 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -60.22 -38.23 82.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.052 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.0 t -71.08 -41.6 76.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.75 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -63.04 -39.35 94.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.824 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.61 ' HZ1' HG12 ' A' ' 48' ' ' VAL . 26.8 mtmm -61.43 -35.71 78.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.387 . . . . 0.0 110.888 176.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.19 -46.18 81.8 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.381 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.05 -31.83 72.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.773 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.75 68.84 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -76.09 -21.28 56.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 0.0 110.651 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -92.84 9.43 35.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.742 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.95 102.96 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.472 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -80.99 -15.65 55.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.05 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.49 ' HB2' ' HG3' ' A' ' 63' ' ' LYS . 12.2 m120 -117.3 124.03 29.42 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.079 -178.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.14 -27.83 85.7 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.975 2.45 . . . . 0.0 111.788 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -64.37 -46.45 83.32 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.824 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.49 ' HG3' ' HB2' ' A' ' 60' ' ' ASN . 46.0 mttm -73.29 -32.29 64.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.207 -178.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -39.75 91.31 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.024 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.01 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 70' ' ' ILE . 47.4 t -60.19 -51.11 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.469 178.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.71 -44.19 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.52 -43.94 96.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.984 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -58.48 -46.52 86.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.395 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 66' ' ' VAL . 78.6 mt -59.99 -42.27 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.242 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.0 -50.09 73.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.705 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.19 -41.25 77.4 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.419 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 13.4 m-20 -68.98 -37.67 78.9 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.431 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.489 ' O ' HG13 ' A' ' 78' ' ' ILE . 26.2 mm-40 -69.28 -38.65 78.44 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.034 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' OE2' HG13 ' A' ' 48' ' ' VAL . 25.7 mm-40 -58.4 -40.46 82.44 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.524 0.678 . . . . 0.0 110.075 173.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 86.3 tttt -59.83 -41.32 91.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.954 176.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 43.9 m170 -65.76 -45.59 81.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.007 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 74' ' ' GLU . 71.0 mt -56.32 -38.82 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.922 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.08 -41.58 92.78 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.421 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.432 ' CZ2' ' HE2' ' A' ' 76' ' ' LYS . 29.0 m0 -67.09 -46.97 72.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.07 0.462 . . . . 0.0 111.072 -177.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -70.48 -30.65 67.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.799 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -59.56 -46.78 87.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.739 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.79 -34.31 76.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.714 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.83 -30.42 70.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.643 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -74.61 5.54 4.72 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 111.712 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' HA ' ' HE3' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -133.32 -44.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.816 0.341 . . . . 0.0 110.346 177.081 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -141.26 104.47 4.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.228 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -164.72 164.43 36.91 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.182 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 93' ' ' PHE . 8.9 p30 -128.14 179.97 5.32 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 178.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.93 -38.48 17.96 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -174.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.75 -49.37 76.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.027 0.441 . . . . 0.0 111.215 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.914 ' HA ' HE21 ' A' ' 92' ' ' GLN . 0.0 OUTLIER -69.48 -28.83 66.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.85 177.721 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 89' ' ' ASN . 38.8 t80 -66.13 -38.91 89.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.202 -178.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.56 97.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.8 t -69.23 -34.81 75.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.728 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.587 ' HA ' HE21 ' A' ' 99' ' ' GLN . 48.2 tp -60.0 -47.4 86.01 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.656 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.33 -41.03 88.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.699 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.553 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 6.6 tt0 -65.91 -46.77 77.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.578 -177.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.587 HE21 ' HA ' ' A' ' 96' ' ' LEU . 29.1 pt20 -69.59 -34.87 74.73 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.214 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 6.2 t-160 -62.16 -43.9 97.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.04 -42.87 91.28 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.524 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 28.9 mm-40 -63.2 -43.85 97.03 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.03 0.443 . . . . 0.0 110.693 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.09 -44.27 97.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.267 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 49.8 mm-40 -63.79 -33.12 74.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.302 -178.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.78 -36.67 79.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.787 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.79 -42.36 99.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.723 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -59.34 -46.43 88.62 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.0 0.429 . . . . 0.0 109.862 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.54 -46.51 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.006 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -57.81 -46.13 85.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.609 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -68.73 -41.9 78.38 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.019 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.8 mt -74.18 -51.88 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.812 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -68.79 -35.18 76.71 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -171.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.531 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 98.1 mttt -84.61 -14.39 48.84 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.53 -0.468 . . . . 0.0 112.141 -173.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.547 ' C ' ' HD3' ' A' ' 114' ' ' LYS . 5.5 tmtt? 170.84 110.81 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 124.021 0.826 . . . . 0.0 110.091 173.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.402 ' N ' ' HD3' ' A' ' 114' ' ' LYS . 50.5 t30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.906 174.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -119.8 118.42 30.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 171.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -117.72 18.41 14.14 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.981 -174.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -130.01 -36.52 1.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -174.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -62.74 -44.72 95.48 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -172.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -63.64 -35.73 81.48 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.023 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.46 -49.4 66.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.249 178.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 36.7 tp -63.76 -44.9 92.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.762 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.63 -35.78 70.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.866 -179.819 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.09 84.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 110.435 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.11 -43.82 98.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.705 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 96.1 mt-30 -59.08 -40.98 86.92 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.425 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.49 -44.08 92.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.303 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.555 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -64.95 -47.03 87.26 Favored Glycine 0 C--O 1.226 -0.355 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.278 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.0 mt -58.68 -42.49 85.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.381 . . . . 0.0 110.733 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -61.93 -46.6 88.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.221 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.456 ' O ' HG21 ' A' ' 21' ' ' VAL . 70.0 mt -59.33 -42.59 87.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.824 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.5 mt -60.48 -43.01 97.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.315 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -62.68 -40.15 96.21 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.686 0.279 . . . . 0.0 110.777 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.06 -47.39 84.9 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.119 0.485 . . . . 0.0 110.608 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG23 HD13 ' A' ' 40' ' ' ILE . 96.2 t -64.29 -40.15 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.01 178.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.7 tp -59.55 -39.99 85.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.182 0.515 . . . . 0.0 110.423 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -64.57 -50.16 68.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.604 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -64.94 -25.54 67.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.003 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.18 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 110.519 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -74.43 -29.78 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.338 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -71.0 -41.53 70.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.764 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.33 14.42 64.02 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 114.322 169.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.9 t70 -76.03 118.17 18.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.464 0.632 . . . . 0.0 109.917 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -76.14 -31.95 58.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.646 -172.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.9 -44.69 95.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.107 0.48 . . . . 0.0 109.793 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -66.65 -42.16 87.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.731 176.754 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 83.7 mt -59.67 -37.31 78.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.902 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.45 92.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.744 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -67.38 -50.5 59.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.059 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 87.1 mt -58.84 -48.62 80.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.715 -176.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -55.95 -49.49 73.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.824 -176.272 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.482 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 11.6 mm-40 -69.17 -36.38 77.3 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.094 0.473 . . . . 0.0 111.241 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.85 -34.89 76.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.423 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.498 HD13 HG23 ' A' ' 21' ' ' VAL . 80.2 mt -63.13 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 173.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.603 HG11 HG22 ' A' ' 78' ' ' ILE . 93.5 t -58.37 -46.6 89.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.499 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.94 -44.95 87.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.41 92.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.216 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.521 ' O ' HG22 ' A' ' 48' ' ' VAL . 6.1 tp10 -62.65 -46.81 86.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.996 178.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -59.04 -40.19 84.32 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.612 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -58.72 -43.32 90.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.834 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.22 -40.46 81.71 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.101 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 44' ' ' GLU . 77.2 t -56.61 -41.37 73.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.577 0.227 . . . . 0.0 110.886 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -59.63 -41.66 90.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.26 -41.35 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.701 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.602 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 27.5 m-85 -65.61 -37.4 86.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.748 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.511 ' HA ' HD13 ' A' ' 71' ' ' LEU . 61.9 mmtt -58.84 -45.33 90.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.152 0.501 . . . . 0.0 110.334 174.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.7 -48.2 82.61 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.929 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.95 -36.3 69.83 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -174.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -43.04 80.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 111.858 -175.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -96.8 4.44 51.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.221 0.534 . . . . 0.0 110.892 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -107.48 -4.64 18.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.367 172.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.75 136.11 28.14 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.147 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -83.59 -4.36 58.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.06 -173.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.519 ' OD1' ' HB3' ' A' ' 62' ' ' GLU . 13.4 t-20 -146.43 134.98 10.93 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.151 -177.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.41 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 11.8 Cg_endo -55.51 -41.8 74.27 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.482 2.788 . . . . 0.0 113.375 -177.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.519 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 38.5 tt0 -57.91 -44.65 86.94 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.526 0.679 . . . . 0.0 110.071 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HG2' ' HB3' ' A' ' 60' ' ' ASN . 61.9 mmtt -65.41 -37.08 85.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.568 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -57.04 -47.37 81.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.255 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 61' ' ' PRO . 46.1 mt-30 -58.57 -44.35 89.73 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.062 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 62' ' ' GLU . 59.1 t -61.55 -53.78 43.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.3 mt -63.38 -38.98 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.89 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.16 -48.34 78.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.363 -179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -71.14 -32.29 68.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.184 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.78 -38.52 82.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.344 0.592 . . . . 0.0 109.553 171.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.602 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 3.3 mt -56.33 -39.19 72.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.92 176.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.55 -46.44 83.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.783 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -67.61 -37.85 83.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.549 -177.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 7.5 mm-40 -69.0 -43.89 73.93 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.531 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -37.49 73.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.637 0.732 . . . . 0.0 110.293 172.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 31.1 ttmt -68.91 -37.84 79.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.173 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -64.43 -34.75 78.9 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.85 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.603 HG22 HG11 ' A' ' 41' ' ' VAL . 75.8 mt -61.25 -43.6 96.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.87 175.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -58.97 -41.93 88.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.225 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.482 ' HB3' HD12 ' A' ' 96' ' ' LEU . 51.9 m0 -63.63 -46.35 86.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -69.94 -30.59 68.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.666 -177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.34 -46.5 89.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.264 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.68 71.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.524 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.64 65.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.024 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.9 t -63.48 97.26 0.13 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.305 -172.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' HB3' ' HE2' ' A' ' 86' ' ' LYS . 36.4 mtpt -152.45 -177.87 6.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.326 173.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -81.55 87.89 6.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.32 -139.7 11.17 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.0 t30 62.34 23.06 13.63 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 121.022 0.439 . . . . 0.0 109.953 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.55 89.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.723 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.89 -48.77 78.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.244 0.545 . . . . 0.0 110.78 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -72.08 -32.13 66.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.965 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.401 ' O ' HG22 ' A' ' 97' ' ' VAL . 62.3 t80 -66.31 -42.92 87.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.725 0.298 . . . . 0.0 110.219 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.81 79.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.681 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.491 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 13.0 t -69.74 -41.69 74.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.868 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.482 HD12 ' HB3' ' A' ' 80' ' ' TRP . 61.1 tp -60.23 -46.2 90.6 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.546 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.456 HG12 HD22 ' A' ' 18' ' ' LEU . 77.2 t -57.82 -41.91 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.782 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.17 -41.44 94.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.796 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 95' ' ' SER . 79.9 mm-40 -65.03 -41.8 94.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 110.463 178.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -63.61 -45.24 91.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.163 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 tt -58.69 -40.25 83.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.009 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 29.1 mm-40 -64.27 -40.86 96.85 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.805 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.89 -45.54 81.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.429 . . . . 0.0 109.918 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -63.14 -33.31 75.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.615 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -60.8 -36.15 78.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.134 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 102' ' ' GLN . 8.4 mmt180 -71.3 -34.83 70.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.03 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -64.11 -45.1 90.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.572 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.74 -39.59 85.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.181 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 29.7 mm-40 -56.6 -46.68 80.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.442 176.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.74 -44.17 97.43 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.657 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 70.5 mt -72.31 -36.8 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -68.22 -49.34 61.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 36.1 pttt -90.0 -8.38 51.74 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -170.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.499 ' HD2' ' HG3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER 179.52 -160.04 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.765 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.435 ' N ' ' HG2' ' A' ' 114' ' ' LYS . 1.8 p30 . . . . . 0 C--N 1.318 -0.785 0 CA-C-O 118.898 -0.573 . . . . 0.0 109.853 173.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.1 mtm . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.733 0.301 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -83.42 98.45 9.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 172.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.47 122.59 16.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.402 -0.817 . . . . 0.0 113.203 -168.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.6 mt -132.7 -20.61 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.504 170.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.78 -44.07 78.29 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -175.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -64.79 -35.91 82.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.714 0.293 . . . . 0.0 110.941 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 51' ' ' TYR . 46.4 tp -66.59 -49.12 67.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.084 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.9 tp -62.54 -39.66 94.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.476 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -56.85 -38.57 72.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.052 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' HB3' ' HA2' ' A' ' 47' ' ' GLY . . . -63.23 -42.78 99.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.903 0.382 . . . . 0.0 110.617 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.36 -45.55 65.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.406 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.64 -35.56 74.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.222 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -61.03 -44.17 97.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.711 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -67.11 -43.3 90.51 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.92 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.81 -43.97 89.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.085 0.469 . . . . 0.0 110.243 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -58.28 -46.91 85.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.435 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.589 ' O ' HG22 ' A' ' 21' ' ' VAL . 75.1 mt -62.66 -46.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.295 176.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.2 mt -58.43 -46.33 86.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.47 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -64.53 -34.57 78.54 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.054 0.454 . . . . 0.0 110.738 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -39.6 90.07 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.804 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 17' ' ' ILE . 45.4 t -67.03 -40.99 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.948 0.404 . . . . 0.0 110.423 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.56 -36.14 77.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.507 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -67.42 -49.15 64.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.234 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -22.86 60.57 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.934 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.36 -25.85 66.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.447 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -68.74 -29.68 68.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.016 0.436 . . . . 0.0 110.773 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -76.91 -52.67 9.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.997 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.31 49.6 6.18 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.974 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -106.1 129.9 54.1 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -73.13 -30.6 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.064 -172.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -71.42 -42.13 68.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.156 0.503 . . . . 0.0 109.898 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 19.6 tp10 -59.63 -49.64 76.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.268 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.2 -37.0 84.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.257 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.21 82.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.891 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -60.8 -49.77 76.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.54 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.54 ' O ' HG13 ' A' ' 40' ' ' ILE . 96.2 mt -58.48 -40.73 83.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.766 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.55 ' O ' HG22 ' A' ' 41' ' ' VAL . 49.0 t30 -58.38 -49.37 77.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 0.0 110.142 178.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -42.07 93.77 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.994 178.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -63.83 -34.76 78.64 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.163 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 36' ' ' LEU . 93.9 mt -65.99 -46.77 87.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.928 0.394 . . . . 0.0 110.345 175.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 37' ' ' ASN . 29.9 t -61.5 -37.51 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.59 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -66.18 -46.34 77.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.009 173.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.64 94.47 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.454 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.2 mm-40 -59.31 -40.38 86.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.514 ' HZ3' HG11 ' A' ' 41' ' ' VAL . 50.5 mttp -62.11 -37.53 85.49 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.008 0.432 . . . . 0.0 110.476 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -63.07 -46.57 86.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.017 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' A' ' 10' ' ' ALA . . . -67.76 -45.68 73.5 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.577 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 44' ' ' GLU . 54.1 t -57.14 -40.26 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 122.241 0.216 . . . . 0.0 111.149 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -61.24 -47.98 83.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.618 0.247 . . . . 0.0 110.718 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.7 t -68.14 -42.71 85.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.655 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CD1' HD11 ' A' ' 7' ' ' LEU . 21.7 m-85 -58.05 -48.33 80.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.849 0.357 . . . . 0.0 110.451 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.2 tptp -60.72 -45.78 92.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.675 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.16 -50.33 74.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.55 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.64 -34.42 64.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.43 -43.69 88.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 8.3 pt-20 -91.03 12.71 18.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.287 0.565 . . . . 0.0 110.637 -176.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -130.72 12.63 5.33 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.356 175.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.87 143.94 28.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.436 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -82.66 -36.55 25.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.98 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -87.05 116.66 66.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.899 -174.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.95 -27.6 20.57 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.756 2.304 . . . . 0.0 113.025 -177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.94 -45.45 64.16 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.261 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' HE2' ' O ' ' A' ' 114' ' ' LYS . 59.4 mttm -74.66 -23.81 58.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.729 175.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -43.32 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -66.39 -39.62 89.15 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.814 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 70' ' ' ILE . 61.6 t -61.19 -48.67 87.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.281 177.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.2 mt -63.34 -40.63 89.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -61.92 -45.79 92.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 110.303 177.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.415 ' HB3' ' HE3' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -59.71 -44.97 93.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.106 176.483 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 76.8 mt -62.15 -39.86 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.625 177.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.56 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 6.7 mt -57.68 -49.47 76.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.77 -42.18 88.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -58.84 -46.85 86.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.232 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 30.8 mm-40 -66.18 -37.28 85.24 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.371 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 59.0 mm-40 -57.58 -37.7 73.62 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 109.894 173.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.55 ' HZ1' ' HB2' ' A' ' 76' ' ' LYS . 3.9 ttmp? -68.88 -39.97 79.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.435 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -63.22 -42.72 99.31 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.85 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.9 mt -57.83 -37.51 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.713 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 82' ' ' LYS . 40.7 tt0 -64.93 -42.37 94.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.261 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.409 ' HB3' HD13 ' A' ' 96' ' ' LEU . 51.4 m0 -62.34 -47.24 85.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.166 0.508 . . . . 0.0 110.643 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -70.58 -28.79 65.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 80.0 tttt -57.81 -48.47 79.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.059 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 -35.05 75.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.78 67.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.889 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.5 m -63.16 -27.33 69.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -110.53 90.62 3.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 72.4 101.95 0.07 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 124.013 0.82 . . . . 0.0 111.95 177.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -136.26 179.05 18.28 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.721 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -126.74 159.58 33.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.06 0.43 . . . . 0.0 109.977 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.92 -63.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.656 0.614 . . . . 0.0 112.656 -171.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.96 -39.68 95.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.903 0.383 . . . . 0.0 111.465 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 12.5 mm-40 -61.97 -35.98 80.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.481 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.42 ' O ' HG21 ' A' ' 97' ' ' VAL . 72.3 t80 -68.66 -42.03 78.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.98 0.419 . . . . 0.0 110.029 176.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.09 -38.73 87.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.899 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 t -72.25 -33.55 67.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.198 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.409 HD13 ' HB3' ' A' ' 80' ' ' TRP . 41.7 tp -59.49 -46.89 87.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.163 0.506 . . . . 0.0 109.652 175.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 93' ' ' PHE . 89.6 t -60.3 -37.8 75.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.47 175.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 55.7 tt0 -65.37 -47.84 75.0 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.494 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -42.97 98.45 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 110.328 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.495 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 4.4 t-160 -60.88 -46.69 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.118 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 45.3 tp -58.45 -48.83 79.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.53 -177.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 28.7 mm-40 -58.61 -37.29 75.55 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.692 -177.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -69.32 -43.69 73.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.113 0.482 . . . . 0.0 110.289 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 15.2 mm-40 -65.26 -38.29 89.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.314 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 26.1 mt-30 -61.43 -36.69 81.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.317 0.579 . . . . 0.0 109.966 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 73.2 ttt180 -69.7 -37.93 76.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.934 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -58.52 -44.95 89.72 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.22 -42.89 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.996 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.13 -37.32 71.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.178 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 106' ' ' ARG . 45.9 mt-10 -71.53 -48.77 46.56 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.498 178.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.7 -38.21 81.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -62.45 -26.44 68.51 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -92.31 -163.23 1.01 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.068 0.461 . . . . 0.0 111.466 -175.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.407 ' O ' ' HE2' ' A' ' 63' ' ' LYS . 52.1 mtpt -74.26 -50.78 17.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.253 -171.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.489 178.548 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 mtt . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.647 0.26 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.431 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 3.2 t70 -87.27 176.71 7.42 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -88.54 30.51 0.89 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -170.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 2' ' ' ASP . 11.0 mp -60.07 -37.35 79.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.323 . . . . 0.0 111.251 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -65.28 -40.6 94.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.946 0.403 . . . . 0.0 110.305 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.39 -41.29 63.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.179 0.514 . . . . 0.0 110.417 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.484 HD22 ' CE1' ' A' ' 51' ' ' TYR . 30.9 tp -62.91 -37.85 88.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.605 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.486 HD12 HG23 ' A' ' 111' ' ' ILE . 32.8 tp -56.52 -41.8 77.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.551 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -57.15 -44.8 83.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.462 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.05 98.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.038 0.446 . . . . 0.0 110.757 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -67.71 -44.12 78.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.105 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 99.0 mt-30 -62.79 -39.07 93.09 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.142 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -61.94 -43.72 98.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.977 0.418 . . . . 0.0 110.565 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.428 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.88 -44.12 97.9 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.019 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.05 -40.72 86.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.819 0.343 . . . . 0.0 110.681 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -58.24 -46.68 85.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.217 0.532 . . . . 0.0 109.644 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 21' ' ' VAL . 78.7 mt -62.21 -42.59 95.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.058 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 94.4 mt -59.94 -41.59 92.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.606 0.241 . . . . 0.0 110.773 178.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.66 -40.96 96.33 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 121.189 0.519 . . . . 0.0 110.736 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.91 -45.99 92.45 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.137 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 17' ' ' ILE . 96.7 t -67.48 -44.35 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.77 -36.52 79.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.105 0.479 . . . . 0.0 110.288 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.19 -51.07 67.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.809 0.814 . . . . 0.0 110.206 175.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.11 -23.55 65.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.084 -1.416 . . . . 0.0 112.215 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.528 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -61.94 -31.6 71.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.995 0.426 . . . . 0.0 111.019 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -70.21 -28.94 65.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.266 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.17 -32.86 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.826 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.38 51.76 9.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.12 -0.562 . . . . 0.0 113.636 173.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.5 t70 -118.7 118.31 31.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -68.25 -31.64 71.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.059 -172.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -70.81 -38.67 73.31 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.118 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.531 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 3.2 tp10 -60.06 -49.83 76.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.655 175.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' ' 25' ' ' ALA . 85.1 mt -59.96 -43.84 94.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.049 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.97 95.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.753 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -64.36 -42.01 96.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.29 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 21' ' ' VAL . 97.7 mt -62.94 -44.31 96.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.651 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.29 -39.12 85.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 110.43 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.08 -40.83 97.11 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.743 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.11 -40.65 98.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.081 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.492 HD13 HG22 ' A' ' 21' ' ' VAL . 78.9 mt -60.52 -50.49 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.624 177.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 78' ' ' ILE . 85.4 t -61.08 -43.95 97.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.909 0.385 . . . . 0.0 110.699 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.99 -46.03 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.87 71.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.575 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE2' ' HB2' ' A' ' 77' ' ' HIS . 1.9 tp10 -62.82 -47.51 83.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.704 -178.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -63.48 -37.33 86.87 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.162 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.42 ' O ' ' HB3' ' A' ' 49' ' ' LYS . 28.5 tt0 -60.02 -42.15 93.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.94 175.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.55 -46.07 95.05 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.598 175.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 44' ' ' GLU . 83.1 t -58.91 -36.94 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.001 0.429 . . . . 0.0 110.838 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 46' ' ' GLN . 64.8 tttp -56.19 -47.77 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.458 176.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.2 t -71.49 -41.16 72.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.085 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.515 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 12.1 m-85 -58.33 -40.72 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.353 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.11 -40.77 98.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.093 0.473 . . . . 0.0 110.047 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -66.18 -41.09 90.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.945 176.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.63 78.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.177 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.7 90.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.219 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.68 -31.08 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.868 ' HB3' ' HZ1' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -79.66 -22.2 43.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.652 -176.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.95 131.35 50.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.331 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -86.0 -44.71 12.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.795 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -87.39 123.69 69.29 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.997 -174.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.91 -37.01 88.48 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.07 2.513 . . . . 0.0 112.67 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.89 -43.63 92.28 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.898 0.38 . . . . 0.0 110.885 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.96 -38.47 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.416 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.54 -36.14 79.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.68 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 28.4 tt0 -64.16 -40.18 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.464 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 70' ' ' ILE . 58.1 t -60.09 -43.58 93.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.127 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.73 -44.76 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.861 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -58.19 -42.52 86.31 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.063 0.459 . . . . 0.0 110.725 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 65' ' ' GLN . 42.4 mtpt -59.12 -45.57 90.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.315 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 66' ' ' VAL . 61.6 mt -67.56 -38.79 81.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.906 0.384 . . . . 0.0 110.447 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.515 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 5.9 mt -56.23 -43.57 78.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.41 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 6.7 tm-20 -63.83 -40.21 96.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.031 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.454 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 31.1 m-20 -69.47 -45.95 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.307 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.508 ' O ' HG13 ' A' ' 78' ' ' ILE . 14.2 mm-40 -68.69 -42.71 77.39 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.786 -177.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.61 -34.9 69.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.369 0.604 . . . . 0.0 109.995 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.626 ' HD2' ' CZ2' ' A' ' 80' ' ' TRP . 1.8 ttmm -66.53 -45.93 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.872 177.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.463 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 39.1 m170 -62.48 -41.3 98.69 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.559 -177.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.541 HG22 HG13 ' A' ' 41' ' ' VAL . 62.1 mt -56.31 -45.35 81.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.881 177.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -57.11 -40.02 76.22 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.731 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.626 ' CZ2' ' HD2' ' A' ' 76' ' ' LYS . 53.2 m0 -65.84 -47.25 75.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.036 0.446 . . . . 0.0 110.997 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -69.99 -31.18 68.75 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.117 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -62.24 -36.13 81.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.888 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.78 -31.76 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.289 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.46 -34.34 78.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.791 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.9 m -81.82 21.5 0.84 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -69.92 -43.57 71.39 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 171.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -139.98 -47.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.601 172.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.99 91.6 2.07 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.737 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.581 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . 40.6 t30 -103.44 127.06 50.9 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.43 73.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.905 -174.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.07 -51.02 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.778 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.581 ' HG2' ' HB3' ' A' ' 89' ' ' ASN . 8.1 pt20 -73.35 -33.23 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.969 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.83 -48.21 77.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.606 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.9 -37.16 85.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.612 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.7 m -68.67 -41.74 78.86 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.551 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.23 -47.94 82.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.899 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.33 -39.05 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.639 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -62.45 -45.87 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.986 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -72.96 -40.47 65.31 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.649 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.436 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 12.0 t-160 -58.47 -42.38 87.33 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.37 -47.91 80.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.42 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.505 ' O ' ' HD3' ' A' ' 106' ' ' ARG . 15.0 mm-40 -60.2 -44.18 95.35 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.226 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.576 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 3.1 m-20 -63.26 -41.73 99.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.217 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.456 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 35.3 mm-40 -67.2 -37.13 83.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.698 0.285 . . . . 0.0 110.996 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -63.66 -35.34 80.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.785 0.326 . . . . 0.0 110.442 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.576 ' HE ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -66.39 -33.41 75.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.95 174.171 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' HG13 ' A' ' 111' ' ' ILE . 64.3 m170 -64.72 -45.66 85.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.173 175.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 112' ' ' GLU . 92.1 t -62.84 -40.46 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.084 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.99 -36.92 70.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.076 175.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.38 -46.67 75.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.942 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.486 HG23 HD12 ' A' ' 8' ' ' LEU . 71.7 mt -67.02 -43.41 89.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.85 -176.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 45.3 mm-40 -58.48 -38.3 77.33 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.152 0.501 . . . . 0.0 111.014 179.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.874 ' HZ2' ' HB3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -76.51 -22.04 54.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.9 -179.269 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? 61.37 -106.24 0.23 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.963 -172.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' HD21 ' A' ' 115' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.841 178.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -131.02 106.78 8.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.325 0.583 . . . . 0.0 111.604 -164.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -110.05 -58.92 2.0 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 173.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -173.66 -30.73 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.417 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -60.73 -46.12 91.65 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.714 0.292 . . . . 0.0 111.411 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -66.2 -35.78 81.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.778 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.89 -49.71 49.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.799 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.774 HD12 HG13 ' A' ' 108' ' ' VAL . 20.5 tp -67.77 -45.31 75.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.112 -175.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -58.67 -35.61 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.404 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.07 -45.47 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.976 0.417 . . . . 0.0 110.59 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.21 -44.22 95.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.488 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.03 -36.25 82.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.662 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 17' ' ' ILE . 50.4 tt0 -63.34 -43.99 96.12 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.86 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.561 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.61 -43.99 98.19 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.724 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.459 HG21 HD23 ' A' ' 101' ' ' LEU . 82.2 mt -58.51 -45.79 90.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.903 0.382 . . . . 0.0 110.618 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -59.18 -46.44 88.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.915 178.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.554 ' O ' HG21 ' A' ' 21' ' ' VAL . 75.2 mt -59.42 -47.08 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.683 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.9 mt -58.88 -39.61 81.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.347 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 61.0 mtpt -64.69 -39.48 93.74 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.807 0.337 . . . . 0.0 110.864 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -47.5 77.31 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.044 176.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 17' ' ' ILE . 57.4 t -61.3 -39.94 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.034 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.4 -46.56 88.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.988 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -66.33 -42.97 87.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.481 0.658 . . . . 0.0 109.802 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.713 ' HD2' HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -70.45 -23.13 62.66 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.515 -178.434 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 90' ' ' ALA . . . -70.82 -33.1 70.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.257 0.551 . . . . 0.0 109.741 172.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -36.63 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.187 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 46.1 mt-10 -57.02 -52.76 64.0 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 171.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.1 57.76 1.87 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.52 -0.764 . . . . 0.0 114.117 168.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -113.93 120.53 40.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 117.245 0.522 . . . . 0.0 109.929 172.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -56.2 -46.96 79.24 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.49 0.494 . . . . 0.0 111.798 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -67.69 -45.88 73.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.065 -172.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.609 ' CG ' ' HD3' ' A' ' 24' ' ' LYS . 9.4 tp10 -67.45 -38.07 83.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.274 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 25' ' ' ALA . 67.2 mt -65.54 -38.35 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.688 0.28 . . . . 0.0 110.921 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.26 -36.21 81.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.365 0.602 . . . . 0.0 110.068 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -67.58 -41.83 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.046 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.713 HD11 ' HD2' ' A' ' 24' ' ' LYS . 94.9 mt -63.9 -39.47 94.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.49 175.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -55.53 -46.29 77.07 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -59.46 -46.78 87.78 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.027 176.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -64.55 -36.7 85.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.629 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 36' ' ' LEU . 80.6 mt -63.39 -50.76 77.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.472 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.8 t -60.61 -40.19 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.249 0.547 . . . . 0.0 110.01 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -59.18 -46.91 87.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.963 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -47.98 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.185 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.1 mm-40 -59.78 -48.75 80.44 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.965 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -61.76 -36.14 80.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.829 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -61.9 -47.85 83.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.489 . . . . 0.0 110.109 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.92 99.63 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.015 176.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 44' ' ' GLU . 70.6 t -56.66 -45.93 82.72 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 122.241 0.216 . . . . 0.0 110.524 178.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -56.36 -43.75 79.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.903 0.382 . . . . 0.0 110.797 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.01 -43.81 92.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.774 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.569 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 29.9 m-85 -66.62 -35.05 79.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.001 177.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.1 mtpp -62.23 -43.81 97.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -57.18 -49.76 74.95 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.492 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.38 77.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.594 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.3 85.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.646 0.26 . . . . 0.0 111.319 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 59.0 mm-40 -76.75 -34.98 58.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.292 0.568 . . . . 0.0 109.751 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -91.47 23.56 3.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.542 176.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.01 117.3 2.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.08 0.466 . . . . 0.0 110.989 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -91.3 -21.29 21.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.338 -175.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 18.7 m120 -135.52 138.79 29.38 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 43.4 Cg_exo -58.03 -43.08 51.4 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.962 2.441 . . . . 0.0 112.491 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 3.8 mp0 -62.85 -45.94 90.24 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 121.652 0.739 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -71.39 -25.02 62.18 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.711 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -60.95 -40.43 93.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.145 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 78.2 mt-30 -66.73 -42.16 86.71 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.8 -50.54 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.038 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.421 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 67.1 mt -63.57 -38.32 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.644 178.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.416 ' HB2' HH11 ' A' ' 64' ' ' ARG . 14.9 t70 -58.49 -49.33 77.76 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.101 0.476 . . . . 0.0 111.291 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 65' ' ' GLN . 48.6 mmtt -67.35 -38.38 84.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.428 -177.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.459 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 70.5 mt -67.11 -42.85 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.287 176.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.569 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -60.13 -40.61 90.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.18 -179.719 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -61.7 -44.37 97.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.429 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 17.3 m-20 -60.61 -44.46 96.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.448 178.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 38.6 mm-40 -66.02 -44.07 85.76 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.051 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.3 -38.7 77.56 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 121.708 0.766 . . . . 0.0 109.682 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.7 ttmt -66.08 -41.59 90.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.945 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -60.6 -43.39 97.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.607 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 73.8 mt -57.65 -41.14 78.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.137 176.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -41.91 96.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.655 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.492 ' HB3' HD12 ' A' ' 96' ' ' LEU . 43.2 m0 -61.9 -47.34 85.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 111.33 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -70.47 -31.09 68.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.071 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.57 -45.89 81.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.945 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.23 69.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.049 0.452 . . . . 0.0 111.1 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.09 -29.94 64.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 p -75.58 77.44 2.59 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.555 0.693 . . . . 0.0 112.835 -171.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -137.89 -54.49 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.168 170.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -128.03 110.1 12.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.441 171.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.0 81.57 1.74 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.661 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.464 ' HB3' ' CG ' ' A' ' 92' ' ' GLN . 43.6 t30 -82.92 122.98 28.97 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 176.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 25' ' ' ALA . . . -47.09 -56.82 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -167.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.56 -49.34 77.04 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -174.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -69.84 -30.42 67.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.793 -179.05 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -68.23 -43.9 76.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.47 77.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.804 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.5 m -60.96 -43.03 99.33 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.743 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 80' ' ' TRP . 55.8 tp -62.47 -47.39 84.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.509 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.411 HG11 HD23 ' A' ' 18' ' ' LEU . 89.6 t -61.62 -40.19 85.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.991 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -60.07 -46.02 90.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.031 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -72.84 -35.17 67.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.459 HD23 HG21 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -57.77 -43.96 85.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.51 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.437 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 14.8 mm-40 -62.6 -37.42 86.15 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.472 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.33 -49.45 71.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.158 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -62.84 -36.04 81.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.479 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 47.6 mt-30 -63.65 -38.92 92.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.589 0.233 . . . . 0.0 110.762 177.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.6 ttp85 -67.23 -33.45 75.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.789 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -63.83 -45.53 89.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.774 HG13 HD12 ' A' ' 8' ' ' LEU . 99.4 t -59.25 -41.11 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.26 174.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 58.0 mm-40 -57.44 -37.88 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.699 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.65 -46.99 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.038 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.6 mt -62.4 -42.12 94.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.078 0.466 . . . . 0.0 110.812 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -62.82 -36.56 83.58 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.001 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.576 ' HE2' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -89.51 11.52 19.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.137 0.494 . . . . 0.0 111.21 179.146 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' HA ' ' HE3' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -99.09 6.04 46.72 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.679 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.928 178.787 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.684 ' HE3' ' HB2' ' A' ' 4' ' ' LEU . 24.9 ttt . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.14 -53.1 54.8 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.603 -178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.402 ' OE1' ' HE3' ' A' ' 57' ' ' LYS . 2.8 mp0 -82.4 113.64 20.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 169.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.684 ' HB2' ' HE3' ' A' ' 1' ' ' MET . 2.7 pt? -136.5 -14.06 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -69.91 -31.56 69.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.988 0.423 . . . . 0.0 110.463 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.507 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 1.7 mp0 -71.83 -32.86 67.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.289 0.566 . . . . 0.0 110.079 175.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.529 HD13 ' HA ' ' A' ' 4' ' ' LEU . 8.4 mp -69.92 -42.24 73.58 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.932 176.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.443 HD13 HG11 ' A' ' 108' ' ' VAL . 46.8 tp -60.35 -51.19 70.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.209 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.507 ' HG2' ' HA ' ' A' ' 6' ' ' GLU . 5.9 ptpp? -61.82 -35.69 78.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.51 89.0 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.935 0.397 . . . . 0.0 110.714 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.64 -45.6 93.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.739 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -67.25 -30.46 70.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.86 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' O ' HG13 ' A' ' 17' ' ' ILE . 26.3 tp60 -65.48 -42.43 92.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.951 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.46 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.79 -43.16 98.11 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.851 176.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.11 -40.84 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.453 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.26 -47.18 86.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.533 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.638 ' O ' HG23 ' A' ' 21' ' ' VAL . 85.2 mt -61.87 -44.26 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.811 177.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.0 mt -58.43 -44.16 89.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.706 0.288 . . . . 0.0 111.059 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -63.82 -38.92 92.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.092 0.472 . . . . 0.0 110.703 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -62.68 -46.4 88.32 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.086 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 17' ' ' ILE . 46.9 t -65.59 -39.79 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.02 -38.22 85.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.034 0.445 . . . . 0.0 110.383 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 9.0 tmtm? -67.75 -50.59 56.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.469 0.652 . . . . 0.0 109.716 176.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.739 ' HA ' ' HG3' ' A' ' 27' ' ' GLU . 42.9 mttm -65.39 -22.8 66.83 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.896 -1.047 . . . . 0.0 112.765 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HA ' HD22 ' A' ' 33' ' ' LEU . . . -62.19 -30.18 70.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.188 0.518 . . . . 0.0 109.86 172.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 64.4 mmtt -75.88 -28.07 57.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.457 177.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.739 ' HG3' ' HA ' ' A' ' 24' ' ' LYS . 46.2 mt-10 -62.29 -39.63 93.62 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.5 23.25 12.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 114.567 169.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -102.15 121.1 41.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.653 0.726 . . . . 0.0 110.373 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -70.47 -36.9 74.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.495 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.69 -33.63 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.0 0.428 . . . . 0.0 110.232 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.472 ' CD ' HH21 ' A' ' 35' ' ' ARG . 7.3 tp10 -59.41 -44.77 92.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.828 174.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 25' ' ' ALA . 93.2 mt -59.31 -44.01 92.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.98 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.75 95.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.974 0.416 . . . . 0.0 111.065 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.472 HH21 ' CD ' ' A' ' 32' ' ' GLU . 39.0 ttp180 -66.12 -42.62 88.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 21' ' ' VAL . 82.9 mt -66.36 -38.75 88.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.149 178.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' HG22 ' A' ' 41' ' ' VAL . 66.3 t30 -60.38 -41.92 94.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.9 0.381 . . . . 0.0 109.981 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 5.6 mm100 -63.54 -36.82 85.05 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.794 176.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.549 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 6.2 tp10 -61.38 -41.47 97.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.225 0.536 . . . . 0.0 109.759 178.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.39 -46.96 93.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.516 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 37' ' ' ASN . 98.5 t -57.48 -42.22 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.965 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.549 ' HD3' ' HA ' ' A' ' 39' ' ' GLU . 50.4 mtpt -57.58 -46.38 84.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.167 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.86 -47.33 69.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 -177.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 48' ' ' VAL . 10.9 mm-40 -62.19 -45.22 94.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -60.59 -46.06 91.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.072 0.463 . . . . 0.0 109.809 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.484 ' O ' HG21 ' A' ' 50' ' ' VAL . 23.0 tp60 -61.38 -43.19 99.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.218 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.69 -45.93 94.07 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.436 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 44' ' ' GLU . 99.6 t -57.49 -43.1 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.85 -43.82 97.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.677 178.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 46' ' ' GLN . 47.5 t -70.43 -39.85 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.87 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.01 -33.81 76.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.627 0.251 . . . . 0.0 110.803 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -58.84 -45.52 89.86 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.448 ' CD ' ' HZ1' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -62.47 -37.7 86.95 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.147 176.234 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.11 -33.97 72.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.351 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.86 81.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.079 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.46 -6.01 56.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.238 0.542 . . . . 0.0 110.275 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' HE3' ' OE1' ' A' ' 3' ' ' GLU . 47.3 mttm -109.19 26.3 10.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.015 172.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.57 91.4 1.83 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.863 0.363 . . . . 0.0 111.242 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -74.5 -12.03 60.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.287 0.565 . . . . 0.0 110.397 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.928 ' HB3' ' HD3' ' A' ' 63' ' ' LYS . 32.3 m-80 -129.87 124.93 21.9 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.982 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.49 -42.49 5.15 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.823 2.349 . . . . 0.0 113.977 -176.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -45.77 66.46 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.853 0.835 . . . . 0.0 110.181 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.928 ' HD3' ' HB3' ' A' ' 60' ' ' ASN . 9.4 mptt -63.47 -21.43 66.31 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.3 -1.318 . . . . 0.0 111.077 178.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -65.68 -37.78 87.44 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -36.78 69.38 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.671 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 70' ' ' ILE . 58.3 t -61.77 -45.81 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.029 175.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.565 HD12 ' HB2' ' A' ' 1' ' ' MET . 60.8 mt -63.49 -46.09 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.297 178.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.17 -40.23 80.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.062 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HG2' ' OD2' ' A' ' 73' ' ' ASP . 53.3 tttm -63.29 -47.11 83.7 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.406 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 66' ' ' VAL . 77.4 mt -62.53 -39.86 86.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.173 0.511 . . . . 0.0 109.885 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.71 -42.72 84.36 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.268 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -69.16 -45.04 71.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.438 177.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.411 ' OD2' ' HG2' ' A' ' 69' ' ' LYS . 33.8 m-20 -58.48 -51.5 69.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.435 -178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.54 ' O ' HG13 ' A' ' 78' ' ' ILE . 16.9 mm-40 -63.92 -38.1 89.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.82 -177.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -60.45 -42.56 96.41 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 121.729 0.776 . . . . 0.0 109.89 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -67.59 -37.49 82.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.203 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 60.1 m170 -58.85 -49.81 76.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.329 176.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.656 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 56.1 mt -57.15 -42.92 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.198 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -56.6 -41.92 77.83 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.454 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -64.64 -45.31 87.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.123 0.487 . . . . 0.0 110.891 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.424 ' HD2' ' O ' ' A' ' 77' ' ' HIS . 82.9 m-70 -68.47 -28.07 66.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.309 -175.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 94.1 mttt -56.92 -50.59 72.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 110.507 178.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.35 -35.07 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.43 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.26 -29.04 68.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.59 -176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.2 m -54.23 -24.1 17.25 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -174.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -99.51 -2.0 36.97 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.284 -175.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -137.47 96.89 3.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.98 0.419 . . . . 0.0 110.695 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.93 81.01 0.28 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.31 -174.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -114.92 139.69 49.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 171.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.14 94.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -172.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.46 -50.14 74.0 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -173.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -73.64 -30.69 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.06 0.457 . . . . 0.0 111.348 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -72.5 -37.53 68.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.44 -37.18 74.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.061 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.1 m -68.0 -41.54 82.11 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.59 -47.8 82.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.574 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 88.5 t -61.39 -44.97 99.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.962 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -65.18 -43.28 92.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.308 . . . . 0.0 111.065 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.54 -43.9 97.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.133 0.492 . . . . 0.0 110.53 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.4 t-160 -66.27 -46.2 77.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.154 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 97' ' ' VAL . 2.2 tt -57.32 -46.2 83.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.027 -175.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -62.61 -34.09 76.32 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.6 -42.14 74.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.124 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -65.23 -33.88 77.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.498 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -60.16 -43.02 96.13 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.037 176.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.2 ttt-85 -67.31 -35.56 79.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.456 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -60.46 -51.71 68.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.008 0.432 . . . . 0.0 110.023 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.443 HG11 HD13 ' A' ' 8' ' ' LEU . 97.0 t -60.63 -43.97 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.527 177.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 113' ' ' LYS . 11.6 mm-40 -57.49 -38.75 75.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.495 177.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -70.09 -39.86 75.33 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.473 HG23 HD13 ' A' ' 4' ' ' LEU . 69.4 mt -72.58 -50.12 36.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.434 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.9 -48.9 64.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -175.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 0.4 OUTLIER -74.58 -38.31 62.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.288 0.566 . . . . 0.0 112.13 -172.531 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.616 ' HZ1' ' HB3' ' A' ' 114' ' ' LYS . 7.8 ttpm? -90.55 79.0 6.22 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.003 -174.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 . . . . . 0 C--O 1.248 0.993 0 CA-C-N 115.102 -0.954 . . . . 0.0 108.573 176.416 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -60.07 -84.37 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.275 -168.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -121.3 50.39 1.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.048 0.452 . . . . 0.0 110.169 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.7 mp 65.76 9.12 5.74 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.194 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -60.02 -46.35 89.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.894 -176.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -66.93 -39.54 87.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.634 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.0 tp -69.7 -42.53 73.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.455 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.527 HD12 HG12 ' A' ' 108' ' ' VAL . 32.9 tp -65.52 -49.5 68.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.62 -177.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -62.75 -35.02 78.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.322 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.77 94.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.94 0.4 . . . . 0.0 111.111 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.39 -41.73 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.344 0.592 . . . . 0.0 110.315 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.33 -26.52 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.108 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.43 -43.71 96.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.286 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.28 -39.86 98.27 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.759 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.585 HG22 HD13 ' A' ' 101' ' ' LEU . 76.9 mt -60.72 -42.1 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 110.756 176.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.1 -42.67 99.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.445 0.64 . . . . 0.0 110.028 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 21' ' ' VAL . 77.6 mt -61.65 -42.46 94.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.762 175.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD22 HG13 ' A' ' 97' ' ' VAL . 93.2 mt -61.2 -38.67 87.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.762 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -60.23 -42.05 94.4 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.556 0.693 . . . . 0.0 110.644 174.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.96 -43.38 79.16 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.116 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 17' ' ' ILE . 90.7 t -61.49 -40.55 86.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.783 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.64 -38.26 87.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.062 0.458 . . . . 0.0 110.602 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -66.58 -49.81 65.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 109.647 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.578 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 60.7 mttm -65.25 -22.17 66.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.053 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -65.34 -33.62 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.03 0.443 . . . . 0.0 110.341 174.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -74.86 -28.41 60.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.464 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.578 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 30.1 mm-40 -55.84 -47.47 77.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 175.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.85 64.21 1.9 Allowed Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.7 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.522 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.1 t70 -135.74 130.33 33.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.621 0.211 . . . . 0.0 110.652 175.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.15 -50.54 73.27 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.434 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -62.16 -43.23 99.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.864 -174.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.554 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 41.2 mm-40 -60.81 -49.63 76.72 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.951 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 86.4 mt -61.79 -42.81 99.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.123 -178.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.2 98.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.073 0.463 . . . . 0.0 110.618 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -65.59 -44.02 87.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.244 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 95.9 mt -63.0 -43.99 97.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.255 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -56.35 -48.18 77.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -36.58 79.29 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 177.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.89 -39.49 89.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.175 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 36' ' ' LEU . 88.8 mt -60.05 -49.26 84.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.139 175.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.614 HG12 HG23 ' A' ' 78' ' ' ILE . 57.8 t -58.08 -42.05 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.414 177.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -62.0 -44.68 96.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.424 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.82 -44.95 94.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.664 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -59.2 -49.51 77.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.457 177.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -61.92 -38.88 90.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.148 -175.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.33 -48.45 80.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.281 0.562 . . . . 0.0 110.185 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.43 -37.57 90.3 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 44' ' ' GLU . 48.3 t -56.47 -47.56 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -65.18 -36.48 84.33 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.299 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.27 -41.83 93.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.263 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -62.68 -39.43 93.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.645 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.49 -44.08 97.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.719 0.295 . . . . 0.0 110.659 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -66.31 -37.97 86.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.24 77.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.79 76.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.121 0.486 . . . . 0.0 110.656 176.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -74.07 -31.52 62.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.14 176.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -82.07 -2.25 51.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.336 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.59 110.5 4.85 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.164 0.507 . . . . 0.0 110.468 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -83.3 20.23 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.626 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.48 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 14.7 t-20 -164.78 126.35 1.46 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.633 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.09 -37.62 82.94 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.206 2.604 . . . . 0.0 113.196 -175.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.48 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 30.3 mt-10 -62.04 -43.99 97.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.491 0.662 . . . . 0.0 110.328 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -61.76 -39.08 90.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.986 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -66.31 -36.74 83.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.945 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.44 -41.77 81.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.801 0.334 . . . . 0.0 110.36 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.8 t -60.08 -51.18 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.389 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.35 -42.2 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.523 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.4 -43.78 96.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.836 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.782 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -60.74 -44.53 96.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.299 177.526 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.465 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 77.6 mt -61.35 -42.98 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.07 176.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.42 -48.06 77.76 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.226 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.98 -44.27 97.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.504 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 19.8 m-20 -65.58 -42.05 92.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.555 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 12.2 mm-40 -66.13 -43.21 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.219 -0.301 . . . . 0.0 110.379 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.57 ' OE2' HG13 ' A' ' 48' ' ' VAL . 18.2 mm-40 -58.54 -34.94 71.57 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.462 0.648 . . . . 0.0 110.205 174.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 33.0 ttmt -67.94 -44.34 77.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.379 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 65.4 m170 -58.5 -43.14 88.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.767 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.614 HG23 HG12 ' A' ' 41' ' ' VAL . 76.8 mt -56.25 -41.42 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.956 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.478 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 39.9 tt0 -64.4 -40.1 95.15 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.935 -178.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -60.34 -45.63 92.77 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.226 0.536 . . . . 0.0 110.312 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -69.46 -30.19 68.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.647 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 45.8 mtmt -62.91 -41.19 99.36 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.457 175.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.23 86.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.245 0.545 . . . . 0.0 110.396 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.78 -29.15 68.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.964 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.4 m -60.68 -29.24 69.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.904 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -70.2 -53.38 17.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.325 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -157.99 101.29 1.76 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.031 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.95 104.71 1.49 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.982 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -70.17 151.24 45.63 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.93 -39.38 74.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.661 -174.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mp0 -63.27 -49.98 71.95 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.052 0.453 . . . . 0.0 110.58 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -68.25 -32.66 73.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.074 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -68.14 -43.69 77.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.061 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.98 99.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.544 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.5 m -65.96 -40.04 90.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.816 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.68 -47.41 86.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.882 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.49 HG13 HD22 ' A' ' 18' ' ' LEU . 85.9 t -62.51 -46.76 95.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.676 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.17 -45.6 92.54 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.203 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.91 -37.88 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -63.45 -43.51 97.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.109 0.48 . . . . 0.0 109.749 177.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.585 HD13 HG22 ' A' ' 15' ' ' ILE . 39.3 tp -57.4 -39.1 75.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.258 -178.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -57.06 -44.61 83.18 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.783 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.32 -41.72 72.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.996 0.427 . . . . 0.0 110.641 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 51.3 mm-40 -63.28 -40.85 98.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.501 -177.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 92.1 mt-30 -63.31 -32.76 74.26 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.906 0.384 . . . . 0.0 110.512 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 106' ' ' ARG . 0.4 OUTLIER -72.98 -35.72 66.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.74 178.182 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.405 ' O ' HG13 ' A' ' 111' ' ' ILE . 56.1 m170 -57.55 -52.31 65.93 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.527 HG12 HD12 ' A' ' 8' ' ' LEU . 97.1 t -58.56 -43.87 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.033 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.87 -43.31 77.01 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.388 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.562 ' HG3' ' HB2' ' A' ' 115' ' ' ASN . 5.1 tp10 -71.57 -48.14 50.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.79 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 107' ' ' HIS . 83.3 mt -60.08 -40.9 84.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.175 -175.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 108' ' ' VAL . 47.3 mt-10 -58.37 -26.77 63.54 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 111.424 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -101.17 25.08 8.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.476 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt 77.95 -1.46 2.58 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.957 170.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.562 ' HB2' ' HG3' ' A' ' 110' ' ' GLU . 91.9 m-20 . . . . . 0 C--N 1.32 -0.712 0 CA-C-O 118.681 -0.676 . . . . 0.0 110.843 -177.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 ttp . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.754 0.311 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -123.64 -24.14 4.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.495 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 9.6 tp10 64.07 83.78 0.16 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.838 0.828 . . . . 0.0 111.194 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.731 ' H ' HD22 ' A' ' 4' ' ' LEU . 2.2 pt? -87.7 -22.93 24.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.935 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.5 ttm-85 -73.13 -44.14 60.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.827 -174.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.45 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 42.1 tt0 -62.6 -37.39 86.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.446 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.12 -36.97 78.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.378 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.778 HD11 HG13 ' A' ' 108' ' ' VAL . 27.1 tp -55.32 -34.26 64.03 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.351 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -57.49 -36.05 71.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.648 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.31 -45.53 90.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.945 -177.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -65.6 -43.39 89.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.238 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -67.75 -29.15 68.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.545 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -61.02 -43.84 98.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.0 110.324 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.552 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -72.14 -39.71 57.63 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.771 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.597 HG21 HD11 ' A' ' 101' ' ' LEU . 69.0 mt -58.38 -42.42 83.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.629 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -59.26 -46.28 88.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.007 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.546 ' O ' HG22 ' A' ' 21' ' ' VAL . 90.3 mt -62.18 -47.28 93.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.931 176.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.3 mt -58.46 -43.01 88.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.754 -176.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 13.3 mmmm -66.81 -34.56 78.09 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.99 0.424 . . . . 0.0 111.05 177.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' OE2' ' HE2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -68.5 -40.69 80.78 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.991 176.484 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 17' ' ' ILE . 99.1 t -61.0 -39.84 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.795 177.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.09 -38.28 79.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.961 0.41 . . . . 0.0 110.729 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -67.49 -50.38 59.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.94 0.876 . . . . 0.0 109.841 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.493 ' HE2' ' OE2' ' A' ' 20' ' ' GLU . 68.5 mttm -62.2 -25.08 67.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.204 -1.362 . . . . 0.0 111.888 -177.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.7 92.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.723 177.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 7.2 tmtt? -74.24 -37.76 63.7 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' A' ' 24' ' ' LYS . 40.0 mt-10 -57.67 -44.13 85.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.844 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.66 60.16 3.53 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.701 170.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 12.4 t70 -111.12 123.56 50.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -60.71 -51.33 69.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.655 -175.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -62.75 -40.83 98.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 7.1 tp10 -60.56 -49.71 76.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.525 177.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.529 HD21 HD11 ' A' ' 36' ' ' LEU . 93.1 mt -60.87 -40.37 92.71 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.245 -178.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.81 -43.37 98.99 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.048 0.451 . . . . 0.0 110.55 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -66.14 -39.37 89.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.278 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 92.4 mt -58.7 -47.3 85.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.231 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.564 ' O ' HG21 ' A' ' 41' ' ' VAL . 66.9 t30 -57.37 -47.79 80.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.131 0.491 . . . . 0.0 109.973 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -37.63 88.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.411 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.06 -43.08 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.12 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 36' ' ' LEU . 76.2 mt -62.96 -45.15 99.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.479 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.564 HG21 ' O ' ' A' ' 37' ' ' ASN . 39.2 t -59.16 -45.34 92.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.006 0.431 . . . . 0.0 110.436 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -35.48 81.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.235 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.39 -47.48 76.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.668 0.271 . . . . 0.0 110.677 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.2 mm-40 -63.5 -43.55 96.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.21 176.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -58.8 -38.13 77.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.912 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -62.97 -47.6 82.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.448 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.464 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -70.05 -46.93 48.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.08 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 78' ' ' ILE . 86.6 t -57.76 -36.43 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 0.0 111.305 -176.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -55.74 -49.06 74.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.556 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.3 t -70.93 -42.15 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.025 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.584 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 31.0 m-85 -58.56 -43.17 89.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.002 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -39.56 93.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.165 0.507 . . . . 0.0 109.855 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.4 -42.36 79.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.206 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.74 76.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.524 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.52 -33.93 70.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.959 0.409 . . . . 0.0 111.478 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -85.52 -11.7 53.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.023 0.44 . . . . 0.0 111.061 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -100.29 1.39 41.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.229 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.74 112.14 4.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.299 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -83.42 -2.43 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.037 -178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -133.32 124.53 18.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.048 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.13 -35.24 42.9 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.034 2.489 . . . . 0.0 113.478 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.55 -44.76 66.8 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.336 0.589 . . . . 0.0 109.898 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -63.3 -36.34 83.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.955 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.6 ttp85 -61.58 -38.98 89.54 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.554 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -39.98 96.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.389 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.5 -50.43 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.323 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.71 -41.56 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.741 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.71 -43.65 98.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.618 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -60.91 -44.02 97.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.465 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.0 mt -64.96 -40.99 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.584 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 2.7 mt -57.05 -40.68 77.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.855 178.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.446 ' CD ' ' HZ2' ' A' ' 76' ' ' LYS . 7.7 tm-20 -59.75 -44.98 93.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.422 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 10.7 m-20 -69.81 -43.62 71.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.923 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 78' ' ' ILE . 24.5 mm-40 -62.77 -44.15 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -57.89 -42.3 84.34 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 121.037 0.446 . . . . 0.0 110.063 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HZ1' ' CB ' ' A' ' 76' ' ' LYS . 3.1 ttmp? -62.42 -42.78 99.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.196 178.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 66.7 m170 -57.28 -43.71 83.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.235 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.514 HD13 HG22 ' A' ' 48' ' ' VAL . 59.3 mt -56.41 -39.79 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.098 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -59.78 -41.98 92.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.73 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 30.5 m0 -60.84 -46.34 90.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.178 0.513 . . . . 0.0 110.683 -177.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -70.99 -33.51 70.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.495 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 61.1 mtpt -64.48 -37.99 89.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.935 0.397 . . . . 0.0 110.506 176.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.11 89.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.145 179.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.53 -35.67 73.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.638 176.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.5 m 67.09 -81.65 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.454 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -153.79 14.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.078 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -132.92 140.54 47.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.795 0.331 . . . . 0.0 110.679 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 178.01 154.42 12.44 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -73.53 142.4 46.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.64 -47.98 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.41 0.444 . . . . 0.0 111.696 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -61.97 -48.38 80.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.252 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -62.85 -42.31 99.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.444 ' O ' HG21 ' A' ' 97' ' ' VAL . 39.5 t80 -64.68 -43.98 91.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.4 -178.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.89 -35.31 80.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.1 t -68.44 -41.0 80.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.931 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.56 -46.31 90.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.12 0.486 . . . . 0.0 110.094 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.551 HG13 HD21 ' A' ' 18' ' ' LEU . 65.2 t -58.13 -45.09 88.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.88 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.75 -44.98 94.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.265 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -62.47 -41.0 98.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.348 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -66.3 -43.12 87.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.69 177.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.597 HD11 HG21 ' A' ' 15' ' ' ILE . 57.5 tp -56.57 -46.12 80.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.906 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.507 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -56.73 -44.35 81.58 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.454 -178.396 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.501 ' HA ' ' HD2' ' A' ' 106' ' ' ARG . 2.9 t70 -67.89 -39.25 83.7 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.45 -176.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.46 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 41.4 mm-40 -66.21 -36.56 83.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.577 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 44.3 mt-30 -66.14 -35.91 81.73 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.531 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 68.2 mtt180 -62.33 -37.2 84.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.943 0.401 . . . . 0.0 110.33 175.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.46 ' O ' HG13 ' A' ' 111' ' ' ILE . 52.9 m170 -64.3 -41.76 96.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.736 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.778 HG13 HD11 ' A' ' 8' ' ' LEU . 97.8 t -64.51 -39.9 87.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 175.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 71.5 mm-40 -56.85 -44.98 82.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.893 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 16.1 mm-40 -71.17 -31.07 67.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.472 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 107' ' ' HIS . 71.4 mt -72.78 -49.17 42.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.16 -50.6 60.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 94.9 mttt 47.02 103.12 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -61.89 102.99 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.552 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.5 t30 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 117.977 -1.011 . . . . 0.0 111.495 175.832 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 121.072 0.463 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.36 -11.21 56.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.751 -174.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -82.59 7.16 15.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.229 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.415 ' HG ' ' HG2' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -112.3 -73.81 0.66 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.95 0.405 . . . . 0.0 110.726 -174.259 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -60.94 -45.34 95.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.334 -173.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -73.23 -32.19 64.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.863 0.363 . . . . 0.0 110.981 -177.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.92 -42.39 94.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.336 0.589 . . . . 0.0 110.025 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.606 HD11 HG12 ' A' ' 108' ' ' VAL . 22.0 tp -58.69 -36.2 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.072 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 49.9 mtpt -57.29 -35.52 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.915 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.49 86.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.505 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.26 -44.37 97.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.102 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 93.7 mt-30 -59.35 -42.91 92.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -61.19 -43.84 98.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.779 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.566 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.14 -43.96 92.16 Favored Glycine 0 C--O 1.224 -0.509 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.155 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.497 HG23 HD12 ' A' ' 101' ' ' LEU . 62.4 mt -58.65 -41.38 82.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.157 0.503 . . . . 0.0 110.551 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -58.32 -48.14 81.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.023 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 21' ' ' VAL . 79.8 mt -65.15 -40.56 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.15 177.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.621 HD22 HG13 ' A' ' 97' ' ' VAL . 94.0 mt -60.17 -41.42 92.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.605 0.241 . . . . 0.0 110.952 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 9.2 mmmm -65.11 -38.54 91.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.149 0.499 . . . . 0.0 110.807 175.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.13 -38.59 82.38 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.259 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.4 t -71.76 -39.7 68.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.644 176.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.0 tp -59.03 -37.21 76.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.191 0.52 . . . . 0.0 110.018 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -61.92 -50.01 73.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.785 175.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HD3' HD12 ' A' ' 36' ' ' LEU . 57.9 mttm -68.33 -24.16 64.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.376 -177.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.94 67.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.146 0.498 . . . . 0.0 110.353 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -76.25 -33.8 59.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.079 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -62.32 -47.13 85.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.795 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.96 54.92 3.45 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.497 -0.774 . . . . 0.0 113.36 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.635 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.1 t70 -102.47 110.6 22.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 173.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -53.98 -55.13 29.99 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.226 -173.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -67.6 -41.32 84.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -175.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.536 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.8 tt0 -64.05 -38.59 91.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.579 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 71.3 mt -57.0 -44.42 82.74 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.5 -36.74 84.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.288 0.566 . . . . 0.0 110.587 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 ttt85 -65.8 -45.8 81.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.471 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 85.6 mt -59.47 -39.23 83.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.588 176.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -55.41 -48.11 74.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.176 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -65.91 -36.18 82.66 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.035 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.8 -41.23 99.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.437 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 36' ' ' LEU . 75.4 mt -61.0 -48.31 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.655 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.14 -38.3 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.617 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.93 -43.18 95.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.888 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.35 82.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.408 ' O ' HG21 ' A' ' 48' ' ' VAL . 7.9 mm-40 -60.2 -42.77 95.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.42 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.06 -40.2 84.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.924 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -65.29 -46.95 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 0.0 110.282 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.519 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -58.83 -40.93 95.74 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.408 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.476 HG13 HD23 ' A' ' 71' ' ' LEU . 43.7 t -56.09 -39.05 56.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.866 0.365 . . . . 0.0 111.097 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.94 -41.59 95.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.8 t -65.72 -46.53 88.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.863 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 49.5 m-85 -62.44 -41.24 98.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.202 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -59.1 -45.25 91.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.248 0.547 . . . . 0.0 109.936 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -43.04 99.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.567 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.19 -33.79 63.54 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.33 75.55 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -83.77 4.65 28.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.977 0.418 . . . . 0.0 111.153 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -99.11 -13.15 19.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.447 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.44 94.78 3.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.535 -172.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -70.9 -34.83 71.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.222 170.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 20.7 t-20 -83.59 126.02 72.22 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.25 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 34.4 Cg_exo -60.64 -37.33 80.31 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.309 2.673 . . . . 0.0 113.267 -176.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -62.71 -43.31 99.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.789 0.328 . . . . 0.0 110.826 -179.701 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.625 ' HB3' ' HZ2' ' A' ' 63' ' ' LYS . 9.9 mtpm? -62.61 -40.72 97.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.426 175.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.13 -50.85 71.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.46 ' HA ' ' OE1' ' A' ' 65' ' ' GLN . 6.5 tp60 -61.84 -46.72 88.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.525 -174.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.42 -52.72 57.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.927 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.26 -44.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.04 -48.28 79.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.23 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.941 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -70.96 -36.36 72.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.55 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.49 -38.49 82.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.611 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -56.45 -47.03 80.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.147 175.442 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.82 -40.74 85.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.88 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.6 -40.09 96.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -68.03 -37.48 81.4 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.163 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 60.6 mm-40 -57.95 -41.01 81.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.87 0.843 . . . . 0.0 109.65 173.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.462 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 32.4 ttmt -63.89 -35.9 82.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.061 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -66.71 -41.77 87.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.727 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.38 -39.33 85.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.194 0.521 . . . . 0.0 109.733 175.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -60.79 -42.16 97.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.779 176.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.407 ' HB3' HD13 ' A' ' 96' ' ' LEU . 50.4 m0 -62.48 -45.57 92.44 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.868 0.366 . . . . 0.0 110.621 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.521 ' HA ' HD22 ' A' ' 96' ' ' LEU . 6.1 m80 -65.41 -45.75 82.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.296 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -62.98 -34.91 78.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 0.0 111.366 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.39 -50.56 30.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.474 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.01 70.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -173.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.3 m -78.92 71.02 5.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.962 0.41 . . . . 0.0 111.538 -173.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -139.93 -52.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.213 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.13 -46.35 1.23 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.158 -177.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.95 131.71 39.81 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.866 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -136.99 176.24 8.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.772 -0.084 . . . . 0.0 110.772 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HB2' ' OE1' ' A' ' 91' ' ' GLU . . . 48.62 -89.59 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.234 1.014 . . . . 0.0 113.608 174.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 90' ' ' ALA . 4.0 mp0 -61.16 -49.42 77.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.964 0.411 . . . . 0.0 111.27 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.79 -30.31 68.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.25 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.95 -48.05 72.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.423 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.82 88.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.8 m -62.86 -40.59 97.94 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.812 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' A' ' 81' ' ' HIS . 57.7 tp -62.61 -47.49 83.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.526 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.621 HG13 HD22 ' A' ' 18' ' ' LEU . 89.0 t -66.56 -37.94 80.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.25 -178.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -64.88 -41.38 95.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.639 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 99' ' ' GLN . 9.9 mm-40 -67.47 -38.22 84.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.392 . . . . 0.0 110.868 176.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.437 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 21.0 t-160 -61.24 -45.13 95.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.763 176.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.497 HD12 HG23 ' A' ' 15' ' ' ILE . 49.3 tp -58.41 -42.02 86.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.12 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -44.62 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.654 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -46.07 65.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.92 0.39 . . . . 0.0 110.659 -178.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 31.4 mm-40 -62.81 -33.66 75.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.115 -176.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -64.13 -35.77 81.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.128 0.489 . . . . 0.0 110.127 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -70.72 -35.12 72.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.326 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -59.82 -50.26 74.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.852 177.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.606 HG12 HD11 ' A' ' 8' ' ' LEU . 94.8 t -58.66 -45.16 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.25 -46.49 82.98 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.503 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.9 -46.12 58.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.538 -175.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 85.7 mt -59.26 -36.84 65.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.738 0.304 . . . . 0.0 111.619 -176.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.19 -26.42 60.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.801 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -83.07 90.94 7.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.23 0.538 . . . . 0.0 110.856 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.415 ' HG2' ' HG ' ' A' ' 4' ' ' LEU . 96.0 mttt -73.1 128.03 34.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.148 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.959 -0.543 . . . . 0.0 109.803 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -82.01 -27.73 32.95 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 173.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.517 ' CD ' ' HZ1' ' A' ' 63' ' ' LYS . 38.8 tt0 74.31 -77.12 0.06 Allowed 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 114.047 -1.433 . . . . 0.0 112.281 173.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.2 mt -54.53 -54.33 42.54 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -170.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -33.46 67.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.733 0.302 . . . . 0.0 111.102 -176.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.68 -43.1 73.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.083 0.468 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.467 HD12 ' CZ ' ' A' ' 51' ' ' TYR . 22.0 tp -67.22 -44.97 78.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.78 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.546 HD12 HG11 ' A' ' 108' ' ' VAL . 30.7 tp -62.19 -47.21 85.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.449 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.91 -36.38 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.16 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.05 -46.07 79.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.954 0.407 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -66.38 -39.44 89.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.753 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -68.59 -32.45 72.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.061 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -68.5 -40.92 80.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.854 177.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.91 -40.62 95.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.455 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.568 HG21 HD12 ' A' ' 101' ' ' LEU . 67.2 mt -58.91 -45.16 92.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.569 0.223 . . . . 0.0 110.419 174.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -58.79 -45.39 89.96 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 21' ' ' VAL . 75.0 mt -60.8 -44.98 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.856 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.598 HD22 HG12 ' A' ' 97' ' ' VAL . 96.1 mt -63.38 -38.64 91.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.698 0.285 . . . . 0.0 111.047 177.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.521 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 7.0 mmpt? -62.75 -38.53 90.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.028 0.442 . . . . 0.0 110.471 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.21 -46.66 79.79 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.653 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.6 t -61.61 -40.1 85.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.949 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.52 -41.0 98.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.028 0.442 . . . . 0.0 110.257 177.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -61.81 -51.25 69.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.009 0.909 . . . . 0.0 110.004 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.711 ' HD2' HD11 ' A' ' 36' ' ' LEU . 60.5 mttm -69.75 -21.97 63.4 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.623 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.23 -28.16 69.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.222 0.534 . . . . 0.0 110.232 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.6 -28.57 58.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.716 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.639 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 7.4 mm-40 -54.36 -49.65 69.31 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.966 0.413 . . . . 0.0 110.577 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.0 -5.45 50.22 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.467 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -85.8 123.96 31.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.258 0.529 . . . . 0.0 110.391 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.03 -30.28 58.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.235 -173.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -69.54 -41.36 76.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.022 0.439 . . . . 0.0 110.655 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 12.8 tt0 -62.48 -38.94 91.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.133 177.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.48 -39.02 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.684 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.98 87.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.108 0.48 . . . . 0.0 110.477 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.522 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 4.8 tpm_? -59.24 -49.93 75.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.009 174.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.711 HD11 ' HD2' ' A' ' 24' ' ' LYS . 90.0 mt -62.34 -35.89 80.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.703 -178.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -55.15 -44.54 75.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.036 0.446 . . . . 0.0 110.393 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.81 -38.88 87.33 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.799 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 12.0 tp10 -65.78 -35.13 79.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.317 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.494 HD12 HG22 ' A' ' 21' ' ' VAL . 77.9 mt -63.29 -46.52 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.316 176.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.1 t -58.37 -42.97 85.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.199 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 39' ' ' GLU . 50.7 mtpt -60.37 -43.68 96.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.467 177.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.55 80.54 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 111.123 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.471 ' O ' HG21 ' A' ' 48' ' ' VAL . 7.6 mm-40 -62.65 -42.58 99.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.288 178.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -44.06 94.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.492 178.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.19 -42.17 99.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.186 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.71 96.0 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.896 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.726 HG11 HD21 ' A' ' 71' ' ' LEU . 70.7 t -57.26 -38.57 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.747 0.308 . . . . 0.0 110.913 177.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.63 -42.79 89.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.068 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.0 t -70.9 -43.21 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.467 ' CZ ' HD12 ' A' ' 7' ' ' LEU . 49.4 m-85 -61.06 -41.67 97.05 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.142 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.94 -41.95 92.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.929 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' CD ' ' HZ3' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -59.2 -46.7 87.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.336 177.847 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.74 -33.31 68.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.754 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.6 -36.67 79.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.989 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -77.64 -19.87 54.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.559 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HZ3' ' CD ' ' A' ' 53' ' ' GLU . 55.4 mttp -93.43 12.99 23.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.943 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 1.003 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . . . -64.23 118.52 8.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -88.06 -10.56 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.11 0.481 . . . . 0.0 110.344 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.476 ' ND2' ' HB2' ' A' ' 62' ' ' GLU . 11.5 t30 -161.15 138.83 6.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.743 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -47.49 -32.08 14.83 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 124.337 3.358 . . . . 0.0 114.826 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 29.9 mm-40 -57.06 -38.71 73.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.158 0.504 . . . . 0.0 111.018 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 1.003 ' HD3' ' HA ' ' A' ' 58' ' ' ALA . 64.7 tttp -64.65 -36.77 85.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.33 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.549 ' HE ' ' HB2' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -66.61 -42.14 87.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 -178.624 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -58.62 -43.05 89.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.547 0.213 . . . . 0.0 111.266 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.08 -50.72 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.564 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.461 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 93.7 mt -62.23 -46.26 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.863 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.549 ' HB2' ' HE ' ' A' ' 64' ' ' ARG . 20.3 t70 -60.4 -49.01 79.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.488 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 1.004 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 9.1 mmpt? -65.58 -43.83 88.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.604 -176.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 68.8 mt -65.52 -40.63 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.323 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.726 HD21 HG11 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -57.6 -46.38 84.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.559 177.033 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -65.69 -37.32 86.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.56 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 6.7 m-20 -61.94 -38.6 89.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.688 174.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 37.5 mm-40 -67.24 -42.24 84.31 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 54.3 mm-40 -57.97 -40.54 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.356 0.598 . . . . 0.0 110.106 174.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.6 ttpt -58.58 -40.55 83.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.89 176.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -64.38 -41.27 96.78 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.663 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.664 HG22 ' HE3' ' A' ' 82' ' ' LYS . 44.1 mt -67.02 -37.37 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.428 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.86 -42.13 71.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.271 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.433 ' HB3' HD11 ' A' ' 96' ' ' LEU . 39.5 m0 -65.12 -45.13 86.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -69.22 -29.76 67.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.83 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.664 ' HE3' HG22 ' A' ' 78' ' ' ILE . 95.8 mttt -59.36 -40.89 87.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.825 0.345 . . . . 0.0 110.47 175.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.97 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.931 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.76 -30.06 68.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.009 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.3 m -75.49 71.32 2.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -168.52 -63.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.091 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -119.49 112.04 18.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.524 0.678 . . . . 0.0 109.457 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -86.45 89.64 1.63 Allowed Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.697 -0.764 . . . . 0.0 113.18 -173.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -90.79 111.82 23.37 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 171.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.65 -40.94 84.86 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -174.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.34 -48.82 76.39 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.767 0.318 . . . . 0.0 111.218 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -64.5 -40.67 96.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.656 177.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -65.95 -45.77 80.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.719 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.96 90.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.794 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -67.65 -38.2 83.5 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.389 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 80' ' ' TRP . 56.4 tp -61.87 -47.24 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.385 177.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.598 HG12 HD22 ' A' ' 18' ' ' LEU . 72.0 t -62.25 -37.64 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.205 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.52 -41.91 96.1 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.695 0.283 . . . . 0.0 111.015 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -69.5 -40.75 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -58.98 -41.15 86.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.859 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 15' ' ' ILE . 52.6 tp -57.7 -47.37 82.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.393 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.469 HE21 ' HB3' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -56.46 -44.76 80.85 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.534 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.24 -44.82 90.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.237 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -63.64 -38.03 89.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.48 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -62.08 -37.48 85.2 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.403 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -71.89 -32.64 67.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.275 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -61.43 -46.25 90.89 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.546 HG11 HD12 ' A' ' 8' ' ' LEU . 84.8 t -62.26 -40.55 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.536 176.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -57.67 -41.83 82.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.175 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -46.68 88.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.039 0.447 . . . . 0.0 110.025 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.71 -50.75 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -174.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -66.94 -32.47 73.74 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.923 1.082 . . . . 0.0 113.923 -166.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 25.81 11.0 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.283 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -100.91 161.64 13.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.651 172.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.982 179.442 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 120.596 0.236 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.27 -46.32 89.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.087 0.47 . . . . 0.0 110.08 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD11 HG13 ' A' ' 108' ' ' VAL . 36.7 tp -62.36 -46.28 89.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.362 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -58.32 -36.06 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.568 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.57 -46.11 87.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.947 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.94 -42.19 94.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.172 177.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -61.21 -39.33 89.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.093 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -62.0 -44.15 97.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.201 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.12 -42.26 94.54 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.776 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.541 HG23 HD11 ' A' ' 101' ' ' LEU . 68.1 mt -58.55 -43.37 86.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.88 0.371 . . . . 0.0 110.489 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -59.18 -47.99 83.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.104 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.57 HD13 ' HG3' ' A' ' 39' ' ' GLU . 95.1 mt -62.88 -44.67 99.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.085 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.9 mt -58.51 -45.34 89.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.881 0.372 . . . . 0.0 110.989 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -64.65 -35.89 82.49 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 121.273 0.559 . . . . 0.0 110.646 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.02 -44.98 78.89 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.205 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.549 HG13 HD13 ' A' ' 36' ' ' LEU . 95.4 t -63.91 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.248 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.32 -39.81 84.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.098 0.475 . . . . 0.0 110.741 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -65.23 -50.85 64.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.757 0.789 . . . . 0.0 109.392 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 49.6 mttm -65.86 -22.58 66.54 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.722 -176.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.68 74.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.279 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 31.0 mmtm -76.56 -29.05 56.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.329 175.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' OE1' ' HG2' ' A' ' 24' ' ' LYS . 98.3 mt-10 -58.63 -40.2 82.68 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 173.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.98 58.61 4.68 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.533 -0.758 . . . . 0.0 114.471 168.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.584 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.2 t70 -122.84 131.55 53.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.019 0.41 . . . . 0.0 110.399 171.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -61.16 -48.48 81.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.526 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -62.4 -41.78 98.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.307 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.7 tp10 -60.08 -47.54 85.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.455 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 88.8 mt -59.32 -42.16 90.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.615 0.245 . . . . 0.0 111.282 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.5 98.3 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.118 0.485 . . . . 0.0 110.476 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -59.93 -47.49 85.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.834 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 96.3 mt -59.04 -46.02 89.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.494 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 41' ' ' VAL . 67.1 t30 -60.01 -44.55 94.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.2 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -63.79 -37.27 86.74 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.43 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.57 ' HG3' HD13 ' A' ' 17' ' ' ILE . 5.9 tp10 -60.79 -45.17 95.45 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.273 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.458 HD11 HG21 ' A' ' 21' ' ' VAL . 70.6 mt -64.32 -50.68 75.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.858 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 37' ' ' ASN . 79.4 t -57.53 -44.78 85.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.036 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.62 -43.22 93.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.131 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.6 -47.82 65.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.4 mm-40 -59.97 -43.51 95.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.02 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -62.23 -42.03 98.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.383 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -66.39 -38.26 87.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.114 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.45 -45.42 94.44 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.998 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 44' ' ' GLU . 66.3 t -57.62 -39.96 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.072 0.463 . . . . 0.0 110.688 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.41 -44.7 95.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.762 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.21 -45.45 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -64.71 -34.94 79.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.56 ' O ' ' HE2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -62.45 -43.65 98.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.008 0.432 . . . . 0.0 110.074 175.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.6 -46.52 89.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.025 176.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.82 76.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.701 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.42 88.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.266 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -74.54 -30.04 61.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.275 0.559 . . . . 0.0 110.017 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -89.48 10.53 22.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.22 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.17 123.74 22.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.481 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.418 ' H ' ' HG2' ' A' ' 59' ' ' ARG . 8.5 ptt180 -70.69 -47.61 58.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.527 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.67 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 2.0 m-20 -108.84 139.07 20.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.34 -27.49 84.96 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.477 2.118 . . . . 0.0 111.025 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.85 -45.59 93.14 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.228 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.67 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 60.6 mmtt -73.92 -32.18 63.42 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.842 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -64.53 -36.32 83.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -54.56 -47.48 73.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.977 0.417 . . . . 0.0 110.619 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.8 -49.18 84.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.506 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.28 -46.09 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.033 0.444 . . . . 0.0 111.139 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.92 -39.39 91.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.429 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.02 -47.64 85.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.466 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.71 -37.3 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.653 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.471 HD11 ' HA ' ' A' ' 52' ' ' LYS . 6.5 mt -55.14 -45.25 75.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.275 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -69.24 -41.07 77.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.925 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 5.7 m-20 -66.19 -38.29 87.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.24 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.438 ' O ' HG13 ' A' ' 78' ' ' ILE . 49.7 mm-40 -70.56 -40.46 73.35 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.497 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.8 -41.57 82.42 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 121.2 0.524 . . . . 0.0 109.592 172.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 36.9 ttmt -58.07 -43.0 86.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.582 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 65.6 m170 -62.65 -45.2 93.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.551 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.1 mt -57.51 -39.95 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.508 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.9 -41.74 92.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.332 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -64.47 -45.83 85.69 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.194 0.521 . . . . 0.0 110.884 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -69.63 -29.4 66.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.449 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -59.24 -38.2 79.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.535 172.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.09 -40.24 78.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.418 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.781 177.076 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.46 -45.7 93.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.009 0.433 . . . . 0.0 111.062 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.54 -39.86 92.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.065 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 97' ' ' VAL . 71.6 t80 -62.61 -47.65 82.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.464 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.03 85.39 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.7 m -67.84 -40.11 83.75 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.718 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.18 -47.36 86.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.144 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 93' ' ' PHE . 90.0 t -58.78 -47.29 89.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -66.25 -36.91 84.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.197 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -69.79 -42.97 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -58.98 -39.47 81.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.671 176.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.541 HD11 HG23 ' A' ' 15' ' ' ILE . 55.6 tp -56.94 -46.89 81.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.825 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.578 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 16.6 mm-40 -58.69 -39.23 80.16 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.435 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -63.13 -49.51 74.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.257 0.551 . . . . 0.0 110.36 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.438 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 41.5 mm-40 -63.86 -34.59 78.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.166 -177.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 95.6 mt-30 -63.64 -36.49 84.01 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.797 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 62.6 mtt180 -63.91 -43.45 95.92 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 175.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -58.63 -49.22 78.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.003 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.472 HG13 HD11 ' A' ' 8' ' ' LEU . 56.1 t -60.74 -43.57 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.373 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -57.29 -42.97 82.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.2 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.66 -41.55 68.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.857 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.2 mt -72.82 -39.38 59.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.3 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.364 0.602 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.52 -43.6 72.72 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.699 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.662 HD11 HG13 ' A' ' 108' ' ' VAL . 32.5 tp -58.53 -42.72 88.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.288 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -61.27 -35.85 78.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.819 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.41 93.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.602 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.4 mm-40 -62.98 -48.01 80.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.422 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.73 -27.43 67.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.289 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -44.8 83.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.365 0.603 . . . . 0.0 109.694 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.84 -34.84 72.14 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.322 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 11' ' ' GLU . 74.7 mt -57.77 -40.26 74.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.62 0.248 . . . . 0.0 110.692 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.661 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 12.7 tmtt? -60.13 -48.16 82.9 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 21' ' ' VAL . 78.8 mt -64.26 -41.56 92.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.104 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 101' ' ' LEU . 97.3 mt -60.63 -39.26 87.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.819 0.343 . . . . 0.0 110.851 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.518 ' HG2' HD11 ' A' ' 101' ' ' LEU . 2.7 mmpt? -64.76 -35.0 79.66 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.195 0.522 . . . . 0.0 110.685 175.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.661 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 5.5 mm-40 -69.32 -47.43 64.49 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.262 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 17' ' ' ILE . 47.5 t -65.84 -38.74 82.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.4 -37.14 74.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.847 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 70.9 tttt -71.32 -51.72 22.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.696 0.76 . . . . 0.0 110.24 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.463 ' CD ' HD11 ' A' ' 36' ' ' LEU . 97.5 mttt -61.84 -23.31 66.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.21 -1.359 . . . . 0.0 112.407 -176.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.537 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -60.39 -43.97 96.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.394 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HE3' ' HB2' ' A' ' 26' ' ' LYS . 18.6 ptmt -76.37 -28.21 56.71 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.805 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.09 -37.49 82.89 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 109.955 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.31 48.03 5.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.932 -0.652 . . . . 0.0 114.506 167.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 32' ' ' GLU . 13.6 t70 -107.64 110.17 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 171.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.34 -29.38 68.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.086 -172.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -71.3 -43.65 66.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.577 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 4.1 mm-40 -62.69 -41.66 99.22 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.642 174.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 81.3 mt -58.99 -47.39 85.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.435 0.16 . . . . 0.0 111.272 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.19 91.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.185 0.517 . . . . 0.0 110.377 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -64.3 -41.19 96.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.35 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 98.2 mt -67.58 -41.93 83.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.949 177.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -60.6 -44.66 96.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -43.35 86.94 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.797 172.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.64 -45.79 90.94 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.728 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 36' ' ' LEU . 86.3 mt -60.65 -50.57 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.04 -37.58 77.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.978 0.418 . . . . 0.0 110.486 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -58.88 -46.63 87.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.462 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.42 -47.16 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.228 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.5 mm-40 -59.13 -44.95 92.05 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -59.04 -41.49 87.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.368 178.652 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -67.68 -41.55 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.912 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.522 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -61.48 -45.82 95.59 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.972 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 44' ' ' GLU . 67.6 t -56.55 -38.79 58.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.755 0.312 . . . . 0.0 110.906 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -62.81 -41.41 99.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.829 0.347 . . . . 0.0 111.008 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.48 -41.85 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.116 0.484 . . . . 0.0 110.491 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 52.7 m-85 -70.18 -37.61 75.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.395 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 52' ' ' LYS . 30.4 mmtp -60.36 -35.18 75.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.518 176.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.4 -51.24 61.69 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.646 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.44 68.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.167 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.56 84.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.707 0.289 . . . . 0.0 111.657 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -86.91 4.39 41.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.93 0.395 . . . . 0.0 110.988 -177.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -128.58 14.11 6.5 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.629 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.38 134.97 38.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.037 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -101.98 -1.65 31.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.692 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -127.08 121.03 22.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -51.92 -44.76 43.03 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.344 2.696 . . . . 0.0 113.068 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 66' ' ' VAL . 22.8 mp0 -62.94 -44.65 95.49 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.397 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -72.54 -32.24 65.94 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.714 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -61.04 -39.69 90.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.189 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -66.21 -37.71 86.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.449 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 62' ' ' GLU . 57.6 t -59.95 -45.96 94.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.408 175.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.402 HG23 ' HD2' ' A' ' 51' ' ' TYR . 72.5 mt -61.59 -43.1 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.425 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.7 -38.27 90.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.403 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -59.91 -45.83 91.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.187 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.71 -39.12 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.034 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.495 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 14.3 mt -57.24 -40.32 77.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 173.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -67.64 -44.77 77.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.883 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 19.5 m-20 -65.02 -44.82 87.93 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.091 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.429 ' O ' HG13 ' A' ' 78' ' ' ILE . 57.9 mm-40 -67.86 -42.39 81.41 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.015 -178.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.15 -44.07 87.68 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 33.8 ttmt -58.21 -41.77 84.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.012 176.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 51.1 m170 -59.24 -46.26 88.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.642 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 74' ' ' GLU . 67.6 mt -58.59 -40.12 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.204 177.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.47 -41.81 77.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.501 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -64.37 -46.45 83.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.212 0.53 . . . . 0.0 110.433 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -70.63 -31.82 68.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.354 -175.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 49.4 mtmt -68.74 -38.54 80.23 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.572 177.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.07 -32.28 68.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 177.161 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.43 -43.91 98.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.918 0.389 . . . . 0.0 111.27 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -67.43 -35.99 80.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.816 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 97' ' ' VAL . 69.6 t80 -66.81 -39.42 87.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.292 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.9 85.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.662 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.2 t -69.92 -36.29 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.059 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.36 -48.09 83.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.549 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 93' ' ' PHE . 59.8 t -63.45 -40.83 90.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.591 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.21 -45.72 87.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.67 -42.52 91.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.462 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.454 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 3.8 t-160 -61.13 -47.34 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.104 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.518 HD11 ' HG2' ' A' ' 19' ' ' LYS . 4.1 tt -57.98 -45.16 87.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.479 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.494 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 10.4 mm-40 -63.49 -36.22 83.05 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.598 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -69.06 -41.73 77.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.211 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.473 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 18.3 mm-40 -65.06 -36.27 83.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.614 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.443 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 60.2 tt0 -64.21 -44.64 91.32 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 175.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -62.53 -33.98 75.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.467 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.413 ' O ' HG13 ' A' ' 111' ' ' ILE . 61.4 m170 -62.91 -45.98 89.98 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 174.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.662 HG13 HD11 ' A' ' 8' ' ' LEU . 92.7 t -60.79 -46.03 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.373 . . . . 0.0 110.036 175.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 72.2 mm-40 -57.41 -38.14 73.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.242 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.81 -40.16 72.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.529 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 107' ' ' HIS . 70.9 mt -72.89 -35.83 50.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.348 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 . . . . . 0 C--N 1.332 -0.173 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.078 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.659 0.266 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.3 -50.09 75.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.102 0.477 . . . . 0.0 110.427 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.9 tp -70.43 -40.96 73.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.71 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -61.18 -36.95 81.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.4 97.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 110.263 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.09 -47.9 82.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.935 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -62.49 -38.07 88.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.01 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -61.88 -42.37 98.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.18 0.514 . . . . 0.0 110.089 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -65.2 -38.84 95.65 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.723 176.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.485 HG22 ' HE2' ' A' ' 19' ' ' LYS . 69.4 mt -60.67 -39.16 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.689 0.28 . . . . 0.0 110.728 176.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -59.08 -47.45 85.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.175 0.512 . . . . 0.0 109.746 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 21' ' ' VAL . 78.3 mt -61.61 -44.33 98.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.747 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.505 ' HB3' ' HG ' ' A' ' 101' ' ' LEU . 92.3 mt -58.49 -44.39 89.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 0.0 111.077 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.485 ' HE2' HG22 ' A' ' 15' ' ' ILE . 58.8 mtmt -66.7 -34.96 79.01 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.894 0.378 . . . . 0.0 110.802 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.93 -46.34 88.26 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.574 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.544 HG21 HD11 ' A' ' 40' ' ' ILE . 61.2 t -64.67 -40.02 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.564 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.52 -39.44 87.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.459 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 23' ' ' LYS . 14.0 tmtt? -62.38 -50.67 70.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.648 0.737 . . . . 0.0 109.568 174.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.1 -26.57 64.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.27 -1.332 . . . . 0.0 112.111 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.684 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -65.59 -25.98 67.64 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -71.87 -29.73 64.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.187 0.518 . . . . 0.0 110.388 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -92.8 -58.92 2.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.928 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.799 ' HA2' HD11 ' A' ' 33' ' ' LEU . . . 56.91 72.86 0.51 Allowed Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.389 -0.823 . . . . 0.0 114.265 173.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -87.33 -83.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.404 -0.519 . . . . 0.0 109.794 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.511 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 9.5 pt-20 -173.04 -58.95 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 175.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.511 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 15.9 mm-40 -60.49 -44.84 95.52 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -168.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.19 -42.77 88.4 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 120.729 0.299 . . . . 0.0 110.461 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.799 HD11 ' HA2' ' A' ' 28' ' ' GLY . 89.0 mt -63.51 -43.5 97.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.811 -179.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.8 81.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 35' ' ' ARG . 31.0 ttt180 -66.24 -46.42 77.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' ILE . 58.2 mt -60.92 -39.1 88.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.291 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 41' ' ' VAL . 40.1 t-20 -58.44 -48.79 79.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.143 0.497 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.407 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 15.6 mm-40 -67.78 -36.44 80.49 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.203 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.5 -42.46 99.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.462 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.544 HD11 HG21 ' A' ' 21' ' ' VAL . 93.5 mt -57.46 -49.3 80.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 176.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 37' ' ' ASN . 94.4 t -56.64 -48.79 80.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.891 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.5 -46.04 84.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.202 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.07 -48.8 74.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.883 -174.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 48' ' ' VAL . 24.2 tt0 -70.61 -39.49 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.793 -177.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.9 -38.06 86.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.915 0.388 . . . . 0.0 110.384 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -65.39 -42.25 92.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.845 175.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.414 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -60.98 -39.31 96.86 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.437 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 44' ' ' GLU . 92.3 t -56.66 -40.55 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.893 0.378 . . . . 0.0 110.605 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.02 -46.06 89.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.654 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.45 -40.17 87.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.763 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 17.8 m-85 -63.12 -43.84 97.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 176.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.55 81.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.385 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.96 -48.74 80.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.71 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . . . -72.81 -33.79 66.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.782 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.94 79.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 111.903 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.66 -16.32 57.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.835 0.35 . . . . 0.0 110.669 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 54' ' ' ALA . 52.6 mtmt -86.47 1.76 50.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.803 177.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.31 120.15 13.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -67.67 -41.47 83.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.689 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -93.67 127.18 46.9 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.526 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.15 -30.85 24.41 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.784 2.322 . . . . 0.0 113.632 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.69 -46.44 75.6 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.445 0.64 . . . . 0.0 110.741 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -72.71 -21.92 60.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -65.55 -42.16 92.18 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -38.48 80.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.367 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 70' ' ' ILE . 51.9 t -60.76 -47.06 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.444 177.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.94 -40.48 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.596 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.536 ' HA ' HD12 ' A' ' 71' ' ' LEU . 12.4 t70 -63.62 -37.61 87.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.323 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 69' ' ' LYS . 44.3 mtpt -65.62 -42.91 91.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.933 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 84.9 mt -58.56 -41.97 83.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 68' ' ' ASP . 52.2 mt -57.07 -43.17 81.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.798 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -65.31 -44.88 86.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.454 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.476 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 19.1 m-20 -61.66 -42.12 98.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.251 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 13.1 mm-40 -65.97 -39.12 90.1 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.465 177.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 28.3 mm-40 -57.45 -43.67 84.14 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.355 0.598 . . . . 0.0 110.111 173.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' NZ ' ' HA ' ' A' ' 73' ' ' ASP . 3.6 ttmp? -60.08 -38.71 83.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.909 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.8 m170 -66.4 -48.23 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.246 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.12 -38.01 58.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.385 0.612 . . . . 0.0 110.322 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.77 -40.39 96.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.117 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -61.11 -45.01 96.43 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -67.68 -29.62 68.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.874 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -62.2 -42.5 99.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.35 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 110.456 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.411 177.55 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -62.17 -48.6 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -175.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -67.02 -34.33 77.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.646 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.41 ' O ' HG23 ' A' ' 97' ' ' VAL . 7.9 t80 -69.09 -42.63 75.91 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.684 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -60.41 -39.41 87.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.599 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 23.8 t -60.89 -45.42 94.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.341 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.59 -47.79 84.66 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.107 0.479 . . . . 0.0 110.678 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 93' ' ' PHE . 95.6 t -61.6 -41.57 90.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.956 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.04 -45.61 92.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.914 0.388 . . . . 0.0 111.103 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 95' ' ' SER . 78.1 mt-30 -66.35 -35.98 81.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.943 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 6.0 t-160 -69.67 -42.77 73.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.583 176.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.505 ' HG ' ' HB3' ' A' ' 18' ' ' LEU . 1.2 mt -57.47 -45.49 84.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.141 -177.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -60.68 -38.05 83.65 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.781 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -69.23 -40.61 77.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 0.0 110.018 -179.087 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.442 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 47.8 mm-40 -67.81 -37.53 82.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.096 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -62.52 -35.63 80.02 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.27 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 103' ' ' ASP . 38.4 ttm180 -64.67 -40.82 96.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.482 174.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.401 ' O ' HG13 ' A' ' 111' ' ' ILE . 57.6 m170 -61.01 -51.24 70.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.169 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.84 -41.92 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.382 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -56.95 -43.28 81.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.391 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.15 -50.08 37.21 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.519 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 107' ' ' HIS . 79.8 mt -62.57 -36.71 76.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 111.972 -175.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.88 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.74 0.305 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.7 tp -66.89 -43.14 84.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.096 0.474 . . . . 0.0 110.059 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 tp -60.27 -45.3 93.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.853 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.23 -41.94 98.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.694 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.08 92.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 110.789 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.74 -47.01 70.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.493 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.25 -28.45 69.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.497 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -61.39 -41.91 97.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.445 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.487 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.69 -41.96 98.82 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.198 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.02 -41.17 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.092 0.473 . . . . 0.0 110.365 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -59.41 -48.12 82.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.302 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 21' ' ' VAL . 82.3 mt -61.3 -45.34 98.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.942 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -58.27 -43.84 88.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.327 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 19.9 mmtp -66.22 -39.18 89.42 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.651 0.263 . . . . 0.0 111.079 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -64.38 -41.0 96.92 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.018 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.556 HG21 HD11 ' A' ' 40' ' ' ILE . 93.5 t -70.27 -42.41 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 tp -59.23 -37.2 76.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.541 . . . . 0.0 110.174 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -61.04 -50.2 74.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.031 176.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.751 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 4.9 mptp? -60.73 -32.8 72.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.809 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.68 75.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.883 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -75.27 -35.74 61.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.015 0.436 . . . . 0.0 110.188 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.54 -35.1 79.39 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.578 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.71 42.53 5.39 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.229 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.566 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.7 t0 -106.32 100.05 9.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.344 0.592 . . . . 0.0 109.653 176.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.79 -38.54 86.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.043 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -65.37 -38.02 88.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.181 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.751 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 4.7 tp10 -67.17 -42.96 83.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.432 175.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 87.0 mt -59.16 -46.15 89.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.43 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.64 83.26 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.191 0.519 . . . . 0.0 110.653 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.54 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 31.1 ttt180 -67.66 -47.17 70.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.411 176.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.544 ' O ' HG13 ' A' ' 40' ' ' ILE . 92.4 mt -60.04 -44.74 94.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.531 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -58.02 -42.42 85.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 110.565 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -43.15 98.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.683 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -66.6 -38.5 87.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.654 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.556 HD11 HG21 ' A' ' 21' ' ' VAL . 82.4 mt -59.24 -50.27 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.671 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.3 t -59.55 -49.9 81.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 42' ' ' LYS . 53.0 mtpt -59.44 -45.94 90.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 111.242 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.88 -48.61 62.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.081 -175.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 48' ' ' VAL . 24.0 tt0 -70.33 -38.16 74.85 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.762 -177.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -59.39 -37.38 77.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.856 0.36 . . . . 0.0 110.206 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -64.63 -39.62 94.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.822 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.95 -41.45 87.77 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.728 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 44' ' ' GLU . 62.5 t -62.24 -35.99 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.982 0.42 . . . . 0.0 110.582 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -58.86 -41.72 87.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.043 175.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.96 -37.8 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.456 175.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.439 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . 6.4 m-85 -58.25 -43.54 87.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 176.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.619 ' HA ' HD11 ' A' ' 71' ' ' LEU . 63.1 tttm -65.46 -43.09 91.44 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.14 -46.16 79.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.368 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.12 -36.82 64.21 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.92 87.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 15.8 pt-20 -93.87 5.51 51.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.53 0.681 . . . . 0.0 110.372 -177.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -127.7 15.39 6.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.14 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.88 141.6 38.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.906 -177.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -74.99 -29.07 60.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.615 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.711 ' HB2' ' HD3' ' A' ' 63' ' ' LYS . 93.6 m-20 -132.98 144.6 53.51 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.345 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.81 -40.74 34.16 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.767 2.311 . . . . 0.0 112.269 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -60.31 -41.5 93.61 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.237 0.541 . . . . 0.0 110.342 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.711 ' HD3' ' HB2' ' A' ' 60' ' ' ASN . 14.1 mptt -70.34 -32.34 70.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.807 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -62.47 -42.43 99.47 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.029 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -54.36 -43.25 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.322 0.389 . . . . 0.0 110.584 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 70' ' ' ILE . 61.2 t -63.54 -51.11 74.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.802 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.38 -37.2 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.156 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.91 -40.24 94.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.838 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -60.68 -45.41 94.28 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.393 173.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 66' ' ' VAL . 81.1 mt -62.49 -39.27 83.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.402 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.619 HD11 ' HA ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -56.47 -49.45 74.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.962 175.448 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.39 -41.15 93.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.155 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -63.7 -51.05 66.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HB3' HG22 ' A' ' 48' ' ' VAL . 18.5 mm-40 -63.33 -39.94 95.95 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.947 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -58.27 -36.09 72.75 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.471 0.653 . . . . 0.0 110.338 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 29.2 ttmt -70.54 -40.69 73.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.679 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 57.3 m170 -59.83 -50.21 74.7 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.46 -37.24 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.591 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.49 -41.8 98.54 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -62.87 -46.3 88.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 110.423 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -70.42 -32.52 70.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.481 -178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' HD2' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -69.94 -36.9 75.65 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.634 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.53 84.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.944 0.402 . . . . 0.0 110.664 177.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.271 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.461 175.679 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.124 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.67 -48.82 79.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.099 0.476 . . . . 0.0 111.484 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -70.98 -38.68 72.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.611 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.65 -42.35 82.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.517 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.53 87.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.7 m -64.19 -39.16 93.41 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.416 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.54 -47.64 84.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.314 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.4 t -62.26 -40.93 89.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.09 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -62.84 -44.95 94.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.292 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -69.31 -33.37 73.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.691 0.281 . . . . 0.0 110.828 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -66.86 -41.46 87.27 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.12 -46.52 88.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.311 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -43.81 81.22 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -45.86 83.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.671 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 55.2 mm-40 -64.27 -38.4 90.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.717 -176.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -65.56 -33.16 75.27 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.146 0.498 . . . . 0.0 110.243 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -69.3 -33.65 73.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.266 177.515 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -63.67 -43.16 97.52 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -60.24 -40.63 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.762 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 106' ' ' ARG . 40.1 mt-10 -57.37 -36.21 70.93 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.119 176.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 106' ' ' ARG . 5.3 mm-40 -71.12 -48.14 53.93 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.227 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 64.2 mt -72.55 -40.44 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -173.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 . . . . . 0 C--N 1.328 -0.367 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -174.792 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.846 0.355 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.89 -46.64 77.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.858 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.84 HD11 HG13 ' A' ' 108' ' ' VAL . 26.3 tp -65.61 -40.23 92.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.406 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -57.77 -35.78 71.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.734 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.5 92.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.879 0.371 . . . . 0.0 110.733 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.76 -45.29 83.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.487 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.25 -29.38 70.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.946 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.694 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.39 -44.23 95.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.861 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.498 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -68.1 -41.3 87.32 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.897 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.94 -40.69 81.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 110.51 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.694 ' HE3' ' HA ' ' A' ' 13' ' ' GLN . 28.5 mtmt -58.91 -46.91 86.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.578 175.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.558 HD13 ' HG3' ' A' ' 39' ' ' GLU . 86.0 mt -64.13 -44.06 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.595 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -59.23 -47.1 86.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.608 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.681 ' HG2' HD11 ' A' ' 101' ' ' LEU . 90.4 mttt -66.74 -35.05 79.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.652 0.263 . . . . 0.0 110.957 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.54 -47.08 80.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 17' ' ' ILE . 87.2 t -64.4 -39.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 177.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 tp -59.52 -36.0 75.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.23 0.538 . . . . 0.0 110.359 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -66.45 -49.37 66.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.818 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -59.27 -23.37 62.34 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.939 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.76 -26.27 68.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.189 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -73.48 -35.79 65.71 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.457 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.18 -47.11 59.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.819 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.62 56.9 4.03 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 114.025 171.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 16.5 t70 -101.16 119.14 38.32 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 171.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.87 -44.04 94.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -171.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -71.49 -41.62 69.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.324 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 8.5 tp10 -65.78 -41.43 92.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 64.8 mt -60.18 -43.14 96.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 111.167 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 37' ' ' ASN . . . -67.16 -35.65 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.36 0.6 . . . . 0.0 110.508 178.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.415 HH21 ' CD ' ' A' ' 32' ' ' GLU . 22.4 ttp180 -69.2 -39.42 78.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.57 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 92.2 mt -63.58 -33.44 75.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.761 175.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 34' ' ' ALA . 8.7 t30 -56.33 -43.45 79.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.629 176.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -41.36 83.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.771 176.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.558 ' HG3' HD13 ' A' ' 17' ' ' ILE . 9.4 tp10 -62.34 -41.09 98.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.673 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.7 mt -61.89 -50.32 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.694 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.64 -37.17 78.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.401 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -57.62 -46.9 83.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.644 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.79 -44.76 72.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.5 mm-40 -58.86 -46.51 87.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.47 -38.7 92.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.769 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.36 -40.68 93.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.168 0.508 . . . . 0.0 109.737 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.449 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -60.74 -46.96 93.45 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.21 176.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 44' ' ' GLU . 89.5 t -59.97 -40.3 82.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.982 0.42 . . . . 0.0 110.532 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -54.83 -47.68 73.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.505 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.0 t -72.28 -42.35 65.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.325 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.449 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 12.5 m-85 -61.33 -36.28 79.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.416 0.151 . . . . 0.0 111.219 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -59.87 -45.64 91.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.22 0.533 . . . . 0.0 109.831 174.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -63.27 -43.71 97.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.956 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.15 90.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.6 -37.68 87.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.936 0.398 . . . . 0.0 111.049 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -80.37 -20.12 44.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.601 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 43.5 mttm -78.16 -39.22 41.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.791 173.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.81 108.77 0.34 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.269 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 51.0 mtp85 -89.43 12.34 16.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.072 -176.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -139.62 126.32 12.46 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 174.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -60.32 -26.68 83.25 Favored 'Trans proline' 0 N--CA 1.473 0.323 0 C-N-CA 123.484 2.789 . . . . 0.0 114.692 -169.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -60.89 -47.74 85.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 111.5 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' O ' HG13 ' A' ' 67' ' ' ILE . 56.8 mtmt -77.63 -26.7 50.72 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.457 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -66.42 -36.9 83.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.15 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.08 -39.54 94.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.196 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.65 -42.96 96.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.038 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 63' ' ' LYS . 87.0 mt -62.32 -45.02 99.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.037 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.09 -41.3 96.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.223 0.535 . . . . 0.0 110.519 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.37 -45.56 88.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.504 176.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.445 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 78.3 mt -68.05 -39.11 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.765 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.69 -45.52 81.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.019 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 27.9 tt0 -63.41 -45.09 92.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.478 177.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -66.11 -38.77 89.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.656 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 35.1 mm-40 -68.1 -43.21 78.96 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.415 177.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 10.6 mm-40 -61.02 -35.08 75.92 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.698 0.761 . . . . 0.0 110.275 173.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 28.0 ttmt -63.68 -43.08 97.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.949 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -60.77 -46.05 91.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.356 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.537 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 68.2 mt -58.59 -41.73 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.372 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.44 -41.91 90.71 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.311 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -61.01 -44.97 96.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.311 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -68.05 -34.03 75.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.16 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 78' ' ' ILE . 33.9 mmtp -60.07 -50.85 72.07 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.947 0.403 . . . . 0.0 110.335 176.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.19 80.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.42 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 178.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -60.67 -50.37 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.993 0.425 . . . . 0.0 111.581 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -67.41 -34.11 76.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.687 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -72.29 -44.01 63.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.966 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.69 88.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.026 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 m -70.69 -40.8 72.67 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.63 -47.93 84.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.164 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.46 -41.79 93.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.203 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.77 -45.68 85.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.967 -177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.68 -44.4 86.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -58.86 -38.45 78.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.966 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 19' ' ' LYS . 4.5 tt -59.52 -48.43 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.124 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -64.56 -40.04 94.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.229 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.88 -49.44 77.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.371 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -63.9 -38.24 90.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.99 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -62.07 -32.81 73.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.348 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.604 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 1.7 tpm_? -67.45 -40.53 85.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.329 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -60.37 -49.01 79.3 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.14 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.84 HG13 HD11 ' A' ' 8' ' ' LEU . 95.3 t -58.45 -43.63 87.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.435 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.19 -42.89 82.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.277 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -60.7 -46.14 91.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.029 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.7 -46.38 94.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.465 -178.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 . . . . . 0 N--CA 1.452 -0.366 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.678 -177.479 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.629 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 11.5 mm-40 . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.992 0.425 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 51' ' ' TYR . 22.3 tp -69.89 -49.45 52.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.597 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.2 tp -63.3 -45.6 90.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.476 -175.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.629 ' HE3' ' HA ' ' A' ' 6' ' ' GLU . 17.7 ptpt -62.4 -35.26 78.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.704 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.65 81.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.361 . . . . 0.0 110.744 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.95 -46.73 83.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.437 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.89 -30.37 71.37 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.383 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -63.46 -43.87 96.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.088 0.47 . . . . 0.0 110.608 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.525 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -64.35 -40.76 98.11 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.968 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.91 -43.36 88.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.931 0.396 . . . . 0.0 110.544 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -59.91 -45.3 92.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.972 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.5 mt -61.69 -45.08 99.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.966 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.9 mt -60.52 -42.18 95.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.294 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HG2' HD11 ' A' ' 101' ' ' LEU . 60.8 mtpt -62.92 -41.0 99.3 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.564 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.559 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -61.85 -49.23 77.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.59 178.051 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 36' ' ' LEU . 73.9 t -66.71 -40.01 85.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.245 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.97 -41.4 91.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.379 0.609 . . . . 0.0 110.203 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 22.6 ttpt -60.93 -50.28 74.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.982 0.896 . . . . 0.0 110.206 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 44.2 mtpt -71.53 -23.74 61.82 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.061 -175.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -70.19 -25.77 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.249 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 47.7 mtmt -64.97 -29.58 70.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.992 0.425 . . . . 0.0 110.671 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -78.39 -46.71 19.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.038 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.65 49.29 3.67 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.88 172.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 10.1 t70 -91.66 120.51 32.49 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 171.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.31 -50.68 69.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.375 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -64.27 -37.98 89.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.8 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 29' ' ' ASP . 9.9 tp10 -61.03 -48.94 79.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.427 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.464 HD21 ' HA ' ' A' ' 25' ' ' ALA . 83.1 mt -62.08 -41.29 98.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.103 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.71 76.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.243 0.544 . . . . 0.0 110.577 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -68.93 -47.42 65.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.871 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.471 HD13 HG22 ' A' ' 21' ' ' VAL . 97.0 mt -65.14 -35.14 80.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.302 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 41' ' ' VAL . 36.5 t-20 -55.32 -43.94 75.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.302 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -63.86 -38.74 92.22 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.411 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.99 -39.45 75.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.419 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.407 HD11 HG21 ' A' ' 21' ' ' VAL . 68.8 mt -62.35 -47.64 92.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.623 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 37' ' ' ASN . 95.1 t -59.32 -46.05 92.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.929 -178.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.19 -39.77 93.31 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.957 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.67 -47.42 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.591 0.234 . . . . 0.0 111.087 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 48' ' ' VAL . 10.2 mm-40 -63.37 -44.98 93.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -58.74 -44.61 90.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.962 0.41 . . . . 0.0 110.727 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.482 ' O ' HG23 ' A' ' 50' ' ' VAL . 54.5 tp60 -66.22 -47.0 75.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.321 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.65 -45.95 94.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.499 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 44' ' ' GLU . 69.0 t -60.24 -38.95 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.711 0.291 . . . . 0.0 110.825 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.642 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 62.0 tttm -61.58 -46.47 89.73 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 46' ' ' GLN . 77.0 t -59.87 -41.52 86.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 123.246 0.341 . . . . 0.0 110.989 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.446 ' CD1' HD11 ' A' ' 7' ' ' LEU . 30.5 m-85 -58.4 -46.16 86.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.791 0.329 . . . . 0.0 110.42 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -67.98 -33.95 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.974 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 58.7 mm-40 -58.47 -50.14 74.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.154 0.502 . . . . 0.0 109.933 175.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.24 -33.74 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.568 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.46 78.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.677 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -79.97 -8.13 59.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.2 0.524 . . . . 0.0 111.028 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -113.41 7.46 17.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.124 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.14 137.28 53.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.496 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.453 ' N ' ' HD3' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -95.08 -20.65 19.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.146 -178.556 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 4.4 t-20 -115.38 113.47 43.21 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.123 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 11.4 Cg_endo -55.68 -33.76 88.43 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.103 2.535 . . . . 0.0 112.711 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.3 mp0 -62.77 -44.67 95.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 178.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.5 -29.26 61.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.55 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -63.73 -37.77 88.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.907 177.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -66.14 -39.3 89.74 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.606 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 62' ' ' GLU . 64.0 t -59.85 -45.54 94.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.99 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.406 HG23 ' HD1' ' A' ' 51' ' ' TYR . 82.3 mt -60.94 -44.55 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.342 176.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.19 -42.9 96.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.082 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -59.39 -45.92 90.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.435 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.76 -39.25 84.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.181 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.99 -41.35 82.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.803 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.77 -45.87 88.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.587 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -67.84 -39.77 83.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.175 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 78' ' ' ILE . 16.0 mm-40 -65.93 -41.52 91.24 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.25 176.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 39.2 mm-40 -57.57 -41.83 81.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.637 0.732 . . . . 0.0 109.958 172.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.443 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 28.0 ttmt -60.84 -45.62 93.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.321 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 48.1 m170 -60.84 -42.17 97.26 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.427 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.9 mt -59.4 -45.93 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.551 177.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.8 -41.16 99.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.059 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -59.84 -45.33 92.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.955 0.407 . . . . 0.0 110.195 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -69.48 -30.0 67.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.621 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -59.57 -47.49 85.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.711 0.291 . . . . 0.0 110.894 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.32 -35.61 68.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.934 0.397 . . . . 0.0 111.521 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -175.294 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -61.87 -47.63 84.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.855 0.359 . . . . 0.0 111.068 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -71.49 -39.45 70.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.269 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -64.25 -43.9 93.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.931 0.396 . . . . 0.0 110.183 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.13 87.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.66 177.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.0 m -65.84 -41.05 92.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.706 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.0 -47.92 81.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.458 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.3 t -66.17 -38.42 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.064 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.46 -46.47 89.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.898 0.38 . . . . 0.0 110.832 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -38.35 77.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.453 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.415 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 22.5 t-160 -62.64 -43.59 98.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.322 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.3 tt -57.44 -49.23 76.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.423 -178.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -61.46 -36.77 81.33 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.731 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.514 ' HA ' ' HD3' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -67.79 -39.62 84.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.867 0.365 . . . . 0.0 110.769 -179.477 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.463 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 38.9 mm-40 -66.87 -32.36 73.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.02 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 95.9 mt-30 -60.61 -40.95 93.73 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.087 175.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.514 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 61.7 mtp180 -62.43 -34.46 76.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.93 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' HG13 ' A' ' 111' ' ' ILE . 57.0 m170 -65.52 -46.44 79.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.62 -41.68 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.939 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 44.7 mm-40 -56.56 -44.28 80.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.711 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -67.58 -39.17 84.87 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.814 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 107' ' ' HIS . 80.3 mt -66.0 -47.55 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.651 0.262 . . . . 0.0 111.179 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 111.431 -178.858 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.948 0.404 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.1 tp -67.94 -43.74 78.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.795 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 108' ' ' VAL . 50.5 tp -59.78 -46.92 87.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.269 176.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 47.5 mtpt -57.77 -35.67 71.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.454 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.75 92.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.73 0.3 . . . . 0.0 110.763 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -64.17 -44.82 90.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.557 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 96.4 mt-30 -59.69 -42.11 92.26 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.484 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 17' ' ' ILE . 28.5 tt0 -63.15 -42.41 99.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.496 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.518 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.02 -42.84 99.54 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.971 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.28 -41.58 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 110.297 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -55.37 -47.51 75.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.374 0.607 . . . . 0.0 109.923 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 21' ' ' VAL . 82.9 mt -60.59 -47.23 93.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.959 177.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.588 HD22 HG13 ' A' ' 97' ' ' VAL . 94.8 mt -58.42 -39.58 80.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -62.62 -45.69 91.69 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.231 0.539 . . . . 0.0 110.534 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -43.48 98.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.704 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' ' 36' ' ' LEU . 58.0 t -67.81 -43.53 86.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.173 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.38 -37.09 79.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 110.321 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.19 -51.43 53.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.977 176.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -66.73 -22.4 66.06 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.692 -1.14 . . . . 0.0 112.808 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -26.18 66.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.984 0.421 . . . . 0.0 110.665 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HE3' ' HB3' ' A' ' 26' ' ' LYS . 29.6 mmmt -70.6 -28.56 64.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.087 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.8 -37.28 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.287 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.95 24.43 57.88 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.721 173.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.8 t70 -94.02 123.69 37.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.102 0.451 . . . . 0.0 110.328 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.03 -38.42 79.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.547 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -62.88 -44.55 95.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.569 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.4 tp10 -60.64 -47.58 85.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.407 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 96.8 mt -62.05 -40.28 95.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.31 -34.19 77.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.128 0.49 . . . . 0.0 110.6 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -45.72 71.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.666 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.592 ' HB3' HG22 ' A' ' 21' ' ' VAL . 82.8 mt -62.86 -43.2 99.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.031 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -56.83 -46.34 81.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.509 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -41.37 79.57 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.924 176.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.66 -41.31 83.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.743 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 21' ' ' VAL . 74.3 mt -61.66 -50.23 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.696 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.04 -37.31 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.184 0.516 . . . . 0.0 110.282 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -62.79 -46.85 86.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.188 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.22 73.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.315 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 48' ' ' VAL . 13.8 mm-40 -59.45 -45.67 90.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.55 -39.68 95.03 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.75 0.31 . . . . 0.0 110.657 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -61.73 -45.66 92.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.857 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.481 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -58.93 -39.55 94.21 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.235 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 44' ' ' GLU . 53.2 t -55.92 -41.83 68.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.667 0.27 . . . . 0.0 111.259 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 82.4 tttt -65.68 -39.41 91.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.84 -38.21 82.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.513 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.86 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 45.7 m-85 -66.58 -36.73 83.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 175.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 55.6 tttp -57.47 -47.23 82.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.145 0.498 . . . . 0.0 110.029 173.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.53 -49.58 75.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.256 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.87 -34.37 76.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.758 -177.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.44 -37.81 83.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.817 0.341 . . . . 0.0 111.34 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 70.6 mt-10 -82.96 -32.59 27.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.2 0.524 . . . . 0.0 110.176 -178.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -89.53 12.21 17.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.859 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.56 104.75 4.63 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.565 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -70.17 -42.51 72.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.686 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.409 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 18.2 t-20 -91.59 121.81 66.73 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.202 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -64.4 -31.78 61.46 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.141 2.561 . . . . 0.0 113.481 -175.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 11.8 mp0 -63.2 -43.72 97.37 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.94 0.4 . . . . 0.0 110.548 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.49 -33.92 77.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.344 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -60.71 -43.58 97.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -66.03 -40.69 91.25 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.733 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 70' ' ' ILE . 62.1 t -59.68 -46.65 93.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.024 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.458 HG23 ' HD1' ' A' ' 51' ' ' TYR . 78.2 mt -63.77 -41.13 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.855 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.85 -43.82 97.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.18 -44.96 95.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.954 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 66' ' ' VAL . 62.1 mt -64.97 -36.15 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.883 0.373 . . . . 0.0 110.26 178.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.86 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -55.31 -40.51 71.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.883 174.331 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.82 -45.12 79.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.834 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.653 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 68.8 m-20 -57.56 -45.95 84.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.713 -178.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -69.29 -41.31 76.98 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.308 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -59.84 -41.47 91.46 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.653 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 14.5 ttmm -57.63 -41.02 80.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.629 177.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -63.47 -35.46 80.54 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.772 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.08 -45.38 94.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.932 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 21.3 mm-40 -59.58 -39.8 85.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.694 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.541 ' HB3' HD11 ' A' ' 96' ' ' LEU . 52.2 m0 -59.98 -44.78 94.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.989 0.423 . . . . 0.0 110.02 175.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 25.2 m80 -69.64 -28.55 66.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.732 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 82' ' ' LYS . 5.2 mmmm -57.69 -46.02 84.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.993 0.425 . . . . 0.0 109.911 174.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.4 -32.44 66.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.251 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 81' ' ' HIS . . . . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.898 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -61.35 -48.75 79.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.342 0.591 . . . . 0.0 110.58 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -66.93 -42.1 85.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.895 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -63.27 -42.95 99.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.569 -175.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.01 -39.61 95.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.601 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 t -67.9 -36.7 80.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.159 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 80' ' ' TRP . 51.5 tp -66.07 -46.79 76.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.657 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.588 HG13 HD22 ' A' ' 18' ' ' LEU . 71.0 t -61.51 -37.6 78.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.767 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.22 -40.94 98.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.705 176.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -67.06 -45.57 76.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.517 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 17.6 t-160 -60.17 -36.45 77.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.815 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.3 -49.49 76.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.297 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.48 -43.53 93.86 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 120.78 0.324 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -51.26 67.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.179 177.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.541 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 10.6 mm-40 -70.59 -36.01 73.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.573 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 48.3 mt-30 -60.45 -42.58 96.44 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.829 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -64.2 -39.57 94.27 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.986 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.42 ' O ' HG13 ' A' ' 111' ' ' ILE . 53.1 m170 -58.97 -44.86 91.61 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.612 HG13 HD11 ' A' ' 8' ' ' LEU . 68.0 t -62.97 -42.33 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.335 175.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 5.2 mm-40 -57.25 -45.08 84.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.198 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -40.57 78.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.2 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 107' ' ' HIS . 81.2 mt -66.06 -41.12 88.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.218 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 120.919 0.39 . . . . 0.0 111.397 178.299 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.784 0.326 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.87 -38.98 83.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.292 0.568 . . . . 0.0 110.179 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.53 HD11 HG13 ' A' ' 108' ' ' VAL . 26.0 tp -60.88 -40.5 93.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.916 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -58.66 -35.96 73.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.601 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.35 85.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.609 0.242 . . . . 0.0 110.933 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.0 -42.81 99.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.163 0.506 . . . . 0.0 110.085 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.395 175.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -62.28 -40.01 94.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.426 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.417 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -65.58 -41.29 96.18 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.328 175.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.489 HG23 HD11 ' A' ' 101' ' ' LEU . 79.4 mt -59.04 -40.52 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.828 0.347 . . . . 0.0 110.392 175.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -60.17 -42.7 95.54 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 21' ' ' VAL . 76.2 mt -66.33 -46.03 88.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.549 176.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -59.74 -38.45 81.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.877 178.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -64.0 -42.88 97.03 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.07 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -45.5 91.56 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.472 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.574 HG22 ' HB3' ' A' ' 36' ' ' LEU . 42.8 t -66.7 -39.45 83.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.896 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.08 -36.12 82.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.561 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -64.83 -52.12 58.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.847 0.832 . . . . 0.0 109.875 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' CD ' HD11 ' A' ' 36' ' ' LEU . 49.9 mttp -66.77 -21.7 66.05 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.204 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.04 -33.79 69.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.069 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -68.11 -28.29 67.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.96 0.409 . . . . 0.0 110.819 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.56 -43.49 38.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.8 26.56 71.01 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.46 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.475 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 14.8 t70 -72.81 120.82 18.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.997 0.427 . . . . 0.0 110.494 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -62.37 -41.11 98.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.591 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -68.67 -44.44 74.06 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.384 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -62.31 -49.2 76.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.868 178.36 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.48 HD23 HD12 ' A' ' 36' ' ' LEU . 84.9 mt -60.48 -37.12 80.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.575 -176.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.62 99.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -68.24 -44.11 76.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.49 . . . . 0.0 110.192 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.574 ' HB3' HG22 ' A' ' 21' ' ' VAL . 94.7 mt -58.26 -44.64 88.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.611 -178.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -57.93 -47.72 82.06 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -39.67 92.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.042 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.99 -41.16 95.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 21' ' ' VAL . 80.5 mt -60.01 -50.31 80.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.532 HG13 HG23 ' A' ' 78' ' ' ILE . 76.5 t -58.55 -43.95 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.719 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -62.98 -39.93 96.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.5 -47.81 71.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.8 mm-40 -60.07 -42.39 94.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.342 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -58.84 -44.62 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.791 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -66.28 -42.61 88.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.265 0.555 . . . . 0.0 110.158 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -41.64 98.12 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.091 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.498 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 44.7 t -57.1 -44.4 83.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 C-N-CA 122.33 0.252 . . . . 0.0 111.124 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HE3' ' HG2' ' A' ' 53' ' ' GLU . 2.8 tptt -56.17 -47.87 77.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.04 -38.66 81.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.613 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 3.0 m-85 -61.13 -43.3 99.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.664 175.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 73.2 mmtt -56.9 -43.89 81.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 177.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.559 ' HG2' ' HE3' ' A' ' 49' ' ' LYS . 53.8 mm-40 -68.28 -48.55 64.69 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.026 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.58 -33.68 71.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.843 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.49 -38.61 69.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.582 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -88.92 -9.68 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 0.0 110.996 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.802 ' HE2' ' HA ' ' A' ' 57' ' ' LYS . 10.2 mmpt? -79.22 -18.9 52.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.253 0.549 . . . . 0.0 109.786 174.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.15 105.71 3.02 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.849 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -69.28 -29.99 67.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.631 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 97.3 m-20 -98.11 130.34 28.79 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.593 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 32.0 Cg_exo -59.34 -34.53 97.71 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.301 2.667 . . . . 0.0 112.797 -177.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.06 -42.57 84.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.213 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.52 -37.82 88.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.123 0.487 . . . . 0.0 110.031 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -64.0 -37.02 85.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.719 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.7 -44.52 96.78 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.443 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 70' ' ' ILE . 57.2 t -61.46 -48.56 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.456 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.18 -45.19 99.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.021 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.18 -46.0 89.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.074 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' A' ' 69' ' ' LYS . 21.6 mtpp -59.98 -46.66 88.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.628 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 66' ' ' VAL . 68.7 mt -61.26 -39.93 84.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.189 0.518 . . . . 0.0 110.1 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.63 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 2.1 mt -57.33 -45.45 84.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.984 176.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.58 -43.32 99.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.016 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.16 -43.04 96.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.424 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.25 -37.97 89.39 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.515 0.198 . . . . 0.0 110.544 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 61.3 mm-40 -57.44 -40.98 79.59 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.378 0.609 . . . . 0.0 109.96 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -69.46 -38.17 77.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.451 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -57.07 -50.39 72.92 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.204 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.583 HG22 ' HE3' ' A' ' 82' ' ' LYS . 56.4 mt -60.39 -39.17 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.663 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.58 -40.98 96.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.078 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -59.97 -44.87 94.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.031 0.444 . . . . 0.0 110.742 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -69.38 -30.56 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.65 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.583 ' HE3' HG22 ' A' ' 78' ' ' ILE . 97.3 mttt -59.62 -47.47 85.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 0.0 110.23 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.91 95.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.999 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.115 179.398 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.115 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.45 -48.47 80.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.795 0.331 . . . . 0.0 111.707 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -70.17 -37.03 75.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.923 0.392 . . . . 0.0 110.663 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 97' ' ' VAL . 58.0 t80 -63.76 -46.57 84.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.129 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.08 -35.67 75.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.993 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.8 t -70.35 -38.35 74.8 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.44 -47.48 83.87 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.475 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 93' ' ' PHE . 89.6 t -57.85 -43.87 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 52.6 tt0 -63.83 -43.25 96.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.974 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.51 -44.18 96.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.967 0.413 . . . . 0.0 110.494 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -60.16 -43.28 95.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.928 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 52.0 tp -57.57 -43.08 84.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.338 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 18.2 mm-40 -57.42 -43.42 83.77 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.553 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -69.09 -47.19 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.511 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -60.58 -33.1 72.22 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.95 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 24.3 mt-30 -60.97 -49.55 77.01 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.105 0.479 . . . . 0.0 110.381 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 106' ' ' ARG . 3.0 mpt_? -67.11 -31.42 71.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.666 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -56.96 -50.8 71.54 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 173.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.607 ' O ' ' HB2' ' A' ' 112' ' ' GLU . 92.5 t -60.23 -46.13 95.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.415 178.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.73 -35.3 74.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.262 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -71.85 -49.35 39.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.496 ' HB ' HD13 ' A' ' 8' ' ' LEU . 64.8 mt -71.18 -35.31 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.715 -175.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 108' ' ' VAL . 1.8 tm-20 . . . . . 0 C--N 1.329 -0.326 0 C-N-CA 123.411 0.684 . . . . 0.0 112.453 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 121.08 0.467 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.473 ' HG ' ' CZ ' ' A' ' 51' ' ' TYR . 7.7 tp -69.89 -49.65 50.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.719 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.677 HD11 HG13 ' A' ' 108' ' ' VAL . 24.1 tp -64.63 -46.61 81.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.474 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.446 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 8.7 mtpm? -59.28 -34.19 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.944 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.49 84.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.992 0.425 . . . . 0.0 110.643 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.0 mm-40 -70.4 -45.33 66.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.66 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -60.08 -34.22 73.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.322 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -61.17 -44.13 97.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.027 0.441 . . . . 0.0 109.941 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.605 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -71.18 -40.18 61.73 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.946 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 11' ' ' GLU . 67.9 mt -58.35 -43.52 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.758 0.314 . . . . 0.0 110.766 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -59.16 -45.77 90.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.648 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 21' ' ' VAL . 87.7 mt -64.5 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.062 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 91.4 mt -63.78 -39.37 94.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.909 0.385 . . . . 0.0 110.569 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -66.58 -37.67 85.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.436 174.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 17' ' ' ILE . 41.7 mm-40 -59.68 -48.0 83.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.879 176.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 17' ' ' ILE . 59.8 t -64.52 -42.71 95.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.68 -37.63 87.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.103 0.478 . . . . 0.0 110.735 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -70.17 -51.35 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.906 0.86 . . . . 0.0 109.85 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HD3' ' CG ' ' A' ' 32' ' ' GLU . 67.3 mttm -64.14 -21.68 66.64 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.257 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.51 -25.97 68.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.673 0.273 . . . . 0.0 110.745 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.747 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 11.2 mmpt? -71.72 -29.48 64.59 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.172 0.51 . . . . 0.0 109.831 176.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.9 -46.36 45.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.513 174.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.04 63.71 3.05 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.353 -0.839 . . . . 0.0 113.5 172.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.446 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.8 t70 -123.9 133.79 53.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.604 -0.351 . . . . 0.0 110.558 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.21 -39.25 89.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.629 -176.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -66.61 -45.08 80.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.453 0.644 . . . . 0.0 109.58 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.4 tp10 -60.3 -49.54 77.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.606 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 91.8 mt -63.59 -38.21 90.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.18 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.96 99.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.59 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -65.61 -40.14 92.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.956 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 21' ' ' VAL . 90.5 mt -64.13 -41.39 97.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.777 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -58.11 -45.73 86.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -59.13 -42.07 89.77 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.815 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' HG3' HD13 ' A' ' 17' ' ' ILE . 9.2 tp10 -64.76 -39.89 94.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.702 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 36' ' ' LEU . 82.1 mt -61.26 -50.66 79.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-O 120.96 0.41 . . . . 0.0 110.777 177.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.66 -42.73 95.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.804 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -64.28 -47.91 77.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.511 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.88 -49.85 41.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.584 ' O ' HG23 ' A' ' 48' ' ' VAL . 14.6 tt0 -70.73 -42.92 69.9 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.359 -172.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.483 ' HE3' HD13 ' A' ' 78' ' ' ILE . 22.0 ttmt -60.91 -36.87 80.4 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.714 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -61.3 -46.09 91.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.14 -37.01 94.23 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.572 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 44' ' ' GLU . 88.8 t -56.93 -41.53 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 tmtt? -65.14 -45.59 84.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.24 -43.1 92.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.477 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.473 ' CZ ' ' HG ' ' A' ' 7' ' ' LEU . 9.3 m-85 -61.68 -43.18 99.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 176.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -63.41 -40.6 97.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.161 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 19.4 mm-40 -62.1 -45.5 93.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.833 175.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.05 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.487 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.13 -41.43 83.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 0.0 110.82 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.72 -0.13 49.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.736 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -109.4 -16.22 14.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.597 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.4 -20.99 59.85 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.23 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 70.61 -70.53 0.15 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.448 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.474 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 48.5 t30 -66.52 123.26 85.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.768 -175.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 9.1 Cg_endo -51.27 -25.82 18.82 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 124.026 3.151 . . . . 0.0 113.704 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 66' ' ' VAL . 26.0 tt0 -64.29 -46.0 85.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.269 0.556 . . . . 0.0 110.6 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.85 -31.19 63.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.429 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -62.79 -43.01 99.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.289 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -67.35 -37.12 82.74 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 62' ' ' GLU . 89.2 t -60.25 -47.54 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 110.129 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 51' ' ' TYR . 71.6 mt -68.0 -38.55 80.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.485 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.63 -44.89 85.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.429 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -60.09 -44.81 94.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.073 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.653 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 62.1 mt -63.79 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.074 0.464 . . . . 0.0 109.896 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.97 -50.15 73.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.713 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.634 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 11.9 tt0 -57.31 -44.93 84.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.457 0.473 . . . . 0.0 111.149 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -69.09 -37.02 78.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.695 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 21.9 mm-40 -67.78 -38.39 83.3 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.261 177.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.634 ' OE1' ' HA ' ' A' ' 72' ' ' GLU . 3.0 mt-10 -57.3 -40.81 78.64 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.741 0.781 . . . . 0.0 109.724 171.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.517 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 28.3 ttmt -68.76 -40.05 79.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.217 -177.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -61.73 -39.42 91.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.483 HD13 ' HE3' ' A' ' 45' ' ' LYS . 69.4 mt -64.15 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.367 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 46.4 mt-10 -59.69 -41.19 90.16 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.985 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -63.5 -45.29 91.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.997 0.427 . . . . 0.0 111.066 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -67.98 -29.62 68.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.896 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 90.4 mttt -59.41 -42.68 92.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.902 0.382 . . . . 0.0 110.334 175.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.21 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.771 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.245 179.675 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.637 0.256 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -40.93 96.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.212 0.53 . . . . 0.0 110.136 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -68.4 -38.7 81.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.627 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -64.83 -45.45 86.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.159 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.27 90.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.704 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 62.5 m -64.13 -37.89 89.09 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.998 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.88 -47.12 72.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.1 0.476 . . . . 0.0 110.451 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.546 HG21 HG11 ' A' ' 21' ' ' VAL . 70.7 t -61.0 -39.42 82.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.186 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -59.91 -44.41 94.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 0.0 110.561 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -67.33 -40.78 85.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.392 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -60.65 -41.04 94.19 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.845 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' HA ' HD13 ' A' ' 18' ' ' LEU . 62.2 tp -58.58 -47.42 84.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.149 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -60.85 -38.73 86.54 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.31 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.63 -50.73 68.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.079 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -64.53 -37.47 87.65 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.295 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.42 -44.89 95.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -67.87 -32.85 73.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.34 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -58.01 -51.81 68.1 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.005 0.431 . . . . 0.0 110.377 175.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.677 HG13 HD11 ' A' ' 8' ' ' LEU . 87.3 t -64.57 -38.6 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.957 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.41 -35.82 70.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.444 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.12 -40.54 71.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.992 0.425 . . . . 0.0 110.569 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.06 -36.75 77.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.27 0.557 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.948 -179.487 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.765 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 53.2 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.665 0.269 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 tp -69.96 -43.31 71.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.968 0.413 . . . . 0.0 110.531 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.685 HD11 HG13 ' A' ' 108' ' ' VAL . 15.9 tp -63.97 -30.17 71.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.428 -178.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.765 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 50.8 mtpt -55.93 -35.69 66.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.511 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.85 87.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.79 0.328 . . . . 0.0 110.651 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -67.97 -43.72 78.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.251 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 89.1 mt-30 -62.26 -39.24 92.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.076 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 17' ' ' ILE . 55.6 tp60 -61.01 -44.54 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.987 0.422 . . . . 0.0 110.233 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.73 -46.43 75.42 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.975 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.7 mt -58.95 -43.4 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.826 0.346 . . . . 0.0 110.536 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -59.44 -46.48 88.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.909 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.461 HD12 ' HB2' ' A' ' 43' ' ' ALA . 74.6 mt -59.39 -47.84 89.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.611 176.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.1 mt -57.97 -43.8 86.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 111.184 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -61.32 -46.12 91.61 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.923 0.392 . . . . 0.0 110.814 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -44.5 90.57 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.645 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.589 HG13 HD13 ' A' ' 36' ' ' LEU . 39.6 t -60.12 -42.73 91.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.461 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.15 -43.42 92.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.011 0.434 . . . . 0.0 110.5 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 10.5 tmtt? -71.47 -46.93 58.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.634 0.73 . . . . 0.0 109.835 176.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.929 ' HG2' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -58.16 -37.45 74.73 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.924 -174.853 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.82 -25.66 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.943 0.401 . . . . 0.0 111.59 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mmtt -62.76 -27.77 69.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.365 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.43 -82.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -175.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.22 -31.22 7.72 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.51 -0.852 . . . . 0.0 113.994 -166.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.408 ' OD1' ' HB2' ' A' ' 90' ' ' ALA . 22.8 t70 68.68 149.64 0.07 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.788 0.435 . . . . 0.0 112.113 -177.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 58.0 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.115 0.966 . . . . 0.0 113.086 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -58.17 -39.98 80.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.24 0.543 . . . . 0.0 110.718 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.9 tp10 -66.47 -38.45 87.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.143 177.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.499 HD22 ' CD2' ' A' ' 93' ' ' PHE . 78.5 mt -62.32 -37.02 83.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.262 -177.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.55 -46.7 80.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.357 . . . . 0.0 111.129 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -62.1 -50.82 70.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.565 0.697 . . . . 0.0 110.474 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.929 HD21 ' HG2' ' A' ' 24' ' ' LYS . 80.1 mt -61.05 -42.86 99.27 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.537 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.463 HD22 ' HE1' ' A' ' 93' ' ' PHE . 25.2 t-20 -56.06 -48.27 76.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.673 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -45.82 90.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.279 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -66.11 -34.76 78.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.937 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 36' ' ' LEU . 80.4 mt -64.46 -48.88 83.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.951 0.405 . . . . 0.0 110.23 176.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.6 t -61.64 -37.55 78.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.415 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.446 ' C ' ' HD3' ' A' ' 42' ' ' LYS . 1.3 tmtp? -58.89 -46.4 87.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.436 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.461 ' HB2' HD12 ' A' ' 17' ' ' ILE . . . -61.96 -47.03 86.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.171 -178.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -61.29 -48.52 80.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.698 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -60.01 -39.63 86.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.403 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.81 -46.82 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.449 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.482 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -65.64 -45.66 88.14 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.962 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 44' ' ' GLU . 68.9 t -56.34 -38.57 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 120.674 0.274 . . . . 0.0 111.502 -176.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -64.85 -39.75 94.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.703 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.91 -41.59 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.651 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.482 ' HD2' ' O ' ' A' ' 47' ' ' GLY . 64.6 m-85 -67.53 -34.66 77.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -45.4 88.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -39.38 91.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.876 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.89 75.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.351 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.23 -37.37 87.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.11 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.52 -8.72 58.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -109.35 3.79 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.685 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.02 104.08 1.67 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.25 -176.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -70.1 -51.61 30.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.304 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 19.3 m120 -84.84 129.36 56.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.868 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 31.4 Cg_exo -59.58 -32.97 96.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.75 2.3 . . . . 0.0 111.423 176.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.08 -43.06 93.4 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.669 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.25 -36.33 81.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.296 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -61.57 -37.67 84.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.435 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -46.08 92.19 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.791 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.06 -46.48 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.562 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.4 -46.7 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.744 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.75 -43.29 94.33 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.945 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -58.95 -45.77 89.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.315 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 79.3 mt -67.86 -39.33 81.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.427 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.73 -46.79 81.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -68.44 -45.03 73.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.538 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.594 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 2.0 m-20 -60.23 -40.13 89.12 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.78 -177.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.455 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 25.3 mm-40 -73.11 -34.6 66.25 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.363 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -40.52 82.9 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.758 0.79 . . . . 0.0 109.167 171.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 21.4 ttmt -57.22 -40.47 77.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.274 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -74.7 -39.77 61.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.163 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 74' ' ' GLU . 78.1 mt -57.11 -43.62 81.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.926 0.393 . . . . 0.0 110.052 176.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.3 -50.62 70.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.48 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.461 ' HB3' HD11 ' A' ' 96' ' ' LEU . 51.2 m0 -60.79 -47.36 86.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.135 0.493 . . . . 0.0 111.358 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -71.3 -30.91 66.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.859 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -68.03 -35.71 78.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.023 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.89 -34.6 76.97 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.068 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.916 176.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . . . . . . 0 N--CA 1.468 0.433 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -60.65 -50.13 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.643 0.735 . . . . 0.0 110.199 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -72.44 -43.31 63.97 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.073 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.499 ' CD2' HD22 ' A' ' 33' ' ' LEU . 38.0 t80 -67.07 -46.31 74.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.434 -172.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.59 83.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 110.715 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 19.3 m -69.21 -39.12 78.78 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.14 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 80' ' ' TRP . 48.7 tp -61.01 -46.19 91.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.856 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 93' ' ' PHE . 95.5 t -57.42 -41.65 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.01 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -64.91 -45.63 85.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 95' ' ' SER . 85.8 mm-40 -67.04 -36.63 82.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -65.87 -46.08 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.936 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -38.03 74.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.509 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 0.4 OUTLIER -62.06 -44.6 96.34 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 178.773 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.664 ' HA ' ' HD2' ' A' ' 106' ' ' ARG . 0.5 OUTLIER -67.64 -39.3 84.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.803 -177.304 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -65.77 -37.16 85.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.968 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.05 -33.69 76.33 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.805 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.664 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 95.6 mtt180 -65.5 -41.36 93.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.849 176.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.488 ' O ' HG13 ' A' ' 111' ' ' ILE . 61.4 m170 -58.87 -50.82 72.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.106 177.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.685 HG13 HD11 ' A' ' 8' ' ' LEU . 61.1 t -58.92 -46.01 91.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.105 0.479 . . . . 0.0 110.386 177.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.24 -40.56 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.607 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -71.59 -37.46 70.98 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 107' ' ' HIS . 78.8 mt -72.36 -49.49 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -176.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 . . . . . 0 C--O 1.233 0.228 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -170.908 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.858 0.361 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.8 -41.53 95.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.999 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.4 tp -69.62 -45.59 68.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.291 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -57.95 -36.06 72.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.217 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.48 91.1 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.679 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.18 -43.86 97.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.012 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.34 -32.69 70.33 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.072 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -66.31 -43.82 85.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.437 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.51 -38.93 93.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.912 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.3 mt -60.14 -41.05 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.677 0.275 . . . . 0.0 110.699 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -58.92 -47.61 84.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.418 0.628 . . . . 0.0 110.086 176.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 21' ' ' VAL . 72.3 mt -60.35 -46.46 95.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.883 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.5 -39.39 79.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.107 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -63.68 -45.23 91.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.367 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -47.64 84.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.019 0.438 . . . . 0.0 110.329 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.564 HG21 HD11 ' A' ' 40' ' ' ILE . 61.8 t -68.45 -39.87 81.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.462 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.89 -41.56 96.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.963 0.411 . . . . 0.0 110.362 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -67.29 -49.61 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.69 0.757 . . . . 0.0 109.997 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.95 -23.24 63.4 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.449 -1.25 . . . . 0.0 111.643 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.25 -25.84 68.24 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.867 0.365 . . . . 0.0 111.05 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -69.35 -28.77 66.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.64 -45.87 60.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.71 22.42 72.3 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.021 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.67 119.26 21.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.066 0.46 . . . . 0.0 110.443 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.71 -36.84 85.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.114 -174.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -71.65 -44.13 64.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.975 0.417 . . . . 0.0 110.678 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.1 tp10 -64.09 -49.5 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.985 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.98 -36.51 81.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.331 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.29 -48.01 81.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.819 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 29.0 ttt180 -66.04 -47.46 74.3 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.006 0.432 . . . . 0.0 110.446 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.555 ' HB3' HG22 ' A' ' 21' ' ' VAL . 60.3 mt -58.17 -34.61 70.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.75 -176.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.514 ' O ' HG23 ' A' ' 41' ' ' VAL . 65.0 t30 -60.44 -48.01 83.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -60.12 -40.05 88.4 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.878 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 5.3 mm-40 -60.35 -39.63 87.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.598 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.564 HD11 HG21 ' A' ' 21' ' ' VAL . 74.7 mt -66.18 -48.7 80.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.338 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 37' ' ' ASN . 60.9 t -56.63 -43.86 79.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.393 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -61.86 -45.92 91.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.1 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.07 75.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.247 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.0 mm-40 -61.65 -48.11 82.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -59.07 -42.79 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.808 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -68.85 -44.61 73.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.24 -46.45 94.44 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.102 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 44' ' ' GLU . 25.2 t -61.93 -35.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.117 0.484 . . . . 0.0 110.602 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -60.22 -38.23 82.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.052 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.0 t -71.08 -41.6 76.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.75 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -63.04 -39.35 94.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.824 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -61.43 -35.71 78.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.387 . . . . 0.0 110.888 176.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.19 -46.18 81.8 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.381 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.05 -31.83 72.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.773 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.75 68.84 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -76.09 -21.28 56.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 0.0 110.651 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -92.84 9.43 35.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.742 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.95 102.96 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.472 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -80.99 -15.65 55.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.05 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' HB2' ' HG3' ' A' ' 63' ' ' LYS . 12.2 m120 -117.3 124.03 29.42 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.079 -178.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.14 -27.83 85.7 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.975 2.45 . . . . 0.0 111.788 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -64.37 -46.45 83.32 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.824 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.495 ' HG3' ' HB2' ' A' ' 60' ' ' ASN . 46.0 mttm -73.29 -32.29 64.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.207 -178.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -39.75 91.31 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.024 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.403 ' OE1' ' HG2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -60.53 -47.01 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.44 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 70' ' ' ILE . 47.4 t -60.19 -51.11 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.469 178.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.71 -44.19 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 71' ' ' LEU . 22.2 t70 -60.52 -43.94 96.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.984 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HG2' ' OE1' ' A' ' 65' ' ' GLN . 31.7 mmtp -58.48 -46.52 86.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.395 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 66' ' ' VAL . 78.6 mt -59.99 -42.27 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.242 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 68' ' ' ASP . 26.5 mt -57.0 -50.09 73.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.705 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.19 -41.25 77.4 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.419 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.515 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 13.4 m-20 -68.98 -37.67 78.9 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.431 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 78' ' ' ILE . 26.2 mm-40 -69.28 -38.65 78.44 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.034 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.457 ' OE2' HG11 ' A' ' 48' ' ' VAL . 25.7 mm-40 -58.4 -40.46 82.44 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.524 0.678 . . . . 0.0 110.075 173.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 86.3 tttt -59.83 -41.32 91.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.954 176.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 43.9 m170 -65.76 -45.59 81.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.007 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 74' ' ' GLU . 71.0 mt -56.32 -38.82 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.922 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.08 -41.58 92.78 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.421 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.456 ' CZ2' ' HE2' ' A' ' 76' ' ' LYS . 29.0 m0 -67.09 -46.97 72.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.07 0.462 . . . . 0.0 111.072 -177.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -70.48 -30.65 67.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.799 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -59.56 -46.78 87.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.739 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.79 -34.31 76.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.714 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.643 -178.719 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.75 -49.37 76.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.027 0.441 . . . . 0.0 111.215 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 15.4 mm-40 -69.48 -28.83 66.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.85 177.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -66.13 -38.91 89.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.202 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.56 97.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.8 t -69.23 -34.81 75.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.728 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.0 -47.4 86.01 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.656 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.33 -41.03 88.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.699 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.567 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 49.5 tt0 -65.91 -46.77 77.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.578 -177.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -69.59 -34.87 74.73 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.214 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.458 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 6.2 t-160 -62.16 -43.9 97.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.04 -42.87 91.28 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.524 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 28.9 mm-40 -63.2 -43.85 97.03 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.03 0.443 . . . . 0.0 110.693 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.09 -44.27 97.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.267 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 49.8 mm-40 -63.79 -33.12 74.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.302 -178.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -60.78 -36.67 79.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.787 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.79 -42.36 99.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.723 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -59.34 -46.43 88.62 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.0 0.429 . . . . 0.0 109.862 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.54 -46.51 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.006 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -57.81 -46.13 85.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.609 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -68.73 -41.9 78.38 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.019 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.8 mt -74.18 -51.88 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.812 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 C--N 1.326 -0.414 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -171.801 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.705 0.288 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.46 -49.4 66.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.249 178.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.471 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 36.7 tp -63.76 -44.9 92.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.762 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.63 -35.78 70.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.866 -179.819 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.09 84.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 110.435 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.11 -43.82 98.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.705 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 96.1 mt-30 -59.08 -40.98 86.92 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.425 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.49 -44.08 92.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.303 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.571 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -64.95 -47.03 87.26 Favored Glycine 0 C--O 1.226 -0.355 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.278 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.408 HG23 HD21 ' A' ' 101' ' ' LEU . 78.0 mt -58.68 -42.49 85.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.381 . . . . 0.0 110.733 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -61.93 -46.6 88.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.221 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 21' ' ' VAL . 70.0 mt -59.33 -42.59 87.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.824 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.5 mt -60.48 -43.01 97.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.315 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -62.68 -40.15 96.21 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.686 0.279 . . . . 0.0 110.777 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.06 -47.39 84.9 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.119 0.485 . . . . 0.0 110.608 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.517 HG21 HD11 ' A' ' 40' ' ' ILE . 96.2 t -64.29 -40.15 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.01 178.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.7 tp -59.55 -39.99 85.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.182 0.515 . . . . 0.0 110.423 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -64.57 -50.16 68.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.604 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -64.94 -25.54 67.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.003 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.18 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 110.519 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -74.43 -29.78 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.338 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -71.0 -41.53 70.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.764 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.33 14.42 64.02 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 114.322 169.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.54 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.9 t70 -76.03 118.17 18.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.464 0.632 . . . . 0.0 109.917 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -76.14 -31.95 58.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.646 -172.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -62.9 -44.69 95.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.107 0.48 . . . . 0.0 109.793 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -66.65 -42.16 87.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.731 176.754 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 83.7 mt -59.67 -37.31 78.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.902 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.45 92.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.744 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -67.38 -50.5 59.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.059 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 87.1 mt -58.84 -48.62 80.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.715 -176.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.453 ' O ' HG23 ' A' ' 41' ' ' VAL . 36.4 t-20 -55.95 -49.49 73.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.824 -176.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.466 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 11.6 mm-40 -69.17 -36.38 77.3 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.094 0.473 . . . . 0.0 111.241 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.85 -34.89 76.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.423 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.517 HD11 HG21 ' A' ' 21' ' ' VAL . 80.2 mt -63.13 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 173.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 78' ' ' ILE . 93.5 t -58.37 -46.6 89.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.499 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.94 -44.95 87.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.41 92.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.216 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.1 tp10 -62.65 -46.81 86.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.996 178.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -59.04 -40.19 84.32 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.612 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -58.72 -43.32 90.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.834 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.22 -40.46 81.71 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.101 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 44' ' ' GLU . 77.2 t -56.61 -41.37 73.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.577 0.227 . . . . 0.0 110.886 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -59.63 -41.66 90.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.26 -41.35 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.701 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.622 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 27.5 m-85 -65.61 -37.4 86.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.748 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.528 ' HA ' HD11 ' A' ' 71' ' ' LEU . 61.9 mmtt -58.84 -45.33 90.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.152 0.501 . . . . 0.0 110.334 174.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.7 -48.2 82.61 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.929 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.95 -36.3 69.83 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -174.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -43.04 80.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 111.858 -175.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -96.8 4.44 51.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.221 0.534 . . . . 0.0 110.892 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -107.48 -4.64 18.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.367 172.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.75 136.11 28.14 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.147 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -83.59 -4.36 58.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.06 -173.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.54 ' OD1' ' HB3' ' A' ' 62' ' ' GLU . 13.4 t-20 -146.43 134.98 10.93 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.151 -177.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 11.8 Cg_endo -55.51 -41.8 74.27 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.482 2.788 . . . . 0.0 113.375 -177.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.54 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 38.5 tt0 -57.91 -44.65 86.94 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.526 0.679 . . . . 0.0 110.071 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.502 ' HG2' ' HB3' ' A' ' 60' ' ' ASN . 61.9 mmtt -65.41 -37.08 85.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.568 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 64' ' ' ARG . 13.5 ttm180 -57.04 -47.37 81.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.255 175.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 62' ' ' GLU . 46.1 mt-30 -58.57 -44.35 89.73 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.062 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 62' ' ' GLU . 59.1 t -61.55 -53.78 43.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.3 mt -63.38 -38.98 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.89 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.16 -48.34 78.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.363 -179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -71.14 -32.29 68.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.184 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.78 -38.52 82.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.344 0.592 . . . . 0.0 109.553 171.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.622 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 3.3 mt -56.33 -39.19 72.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.92 176.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.55 -46.44 83.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.783 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -67.61 -37.85 83.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.549 -177.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 7.5 mm-40 -69.0 -43.89 73.93 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.531 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -37.49 73.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.637 0.732 . . . . 0.0 110.293 172.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 31.1 ttmt -68.91 -37.84 79.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.173 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -64.43 -34.75 78.9 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.85 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.629 HG23 HG13 ' A' ' 41' ' ' VAL . 75.8 mt -61.25 -43.6 96.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.87 175.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -58.97 -41.93 88.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.225 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.498 ' HB3' HD11 ' A' ' 96' ' ' LEU . 51.9 m0 -63.63 -46.35 86.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -69.94 -30.59 68.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.666 -177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.34 -46.5 89.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.264 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.68 71.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.524 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.024 -178.832 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.715 0.293 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.89 -48.77 78.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.244 0.545 . . . . 0.0 110.78 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -72.08 -32.13 66.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.965 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.401 ' O ' HG23 ' A' ' 97' ' ' VAL . 62.3 t80 -66.31 -42.92 87.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.725 0.298 . . . . 0.0 110.219 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.81 79.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.681 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.499 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 13.0 t -69.74 -41.69 74.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.868 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 80' ' ' TRP . 61.1 tp -60.23 -46.2 90.6 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.546 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.444 HG13 HD22 ' A' ' 18' ' ' LEU . 77.2 t -57.82 -41.91 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.782 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -65.17 -41.44 94.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.796 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 95' ' ' SER . 79.9 mm-40 -65.03 -41.8 94.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 110.463 178.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -63.61 -45.24 91.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.163 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.408 HD21 HG23 ' A' ' 15' ' ' ILE . 2.4 tt -58.69 -40.25 83.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.009 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 29.1 mm-40 -64.27 -40.86 96.85 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.805 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.89 -45.54 81.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.429 . . . . 0.0 109.918 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -63.14 -33.31 75.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.615 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -60.8 -36.15 78.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.134 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 102' ' ' GLN . 8.4 mmt180 -71.3 -34.83 70.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.03 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -64.11 -45.1 90.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.572 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.74 -39.59 85.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.181 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -56.6 -46.68 80.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.442 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.74 -44.17 97.43 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.657 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 70.5 mt -72.31 -36.8 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -176.327 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.714 0.293 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 51' ' ' TYR . 46.4 tp -66.59 -49.12 67.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.084 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.9 tp -62.54 -39.66 94.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.476 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -56.85 -38.57 72.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.052 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB1' ' HA2' ' A' ' 47' ' ' GLY . . . -63.23 -42.78 99.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.903 0.382 . . . . 0.0 110.617 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.36 -45.55 65.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.406 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.64 -35.56 74.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.222 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -61.03 -44.17 97.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.711 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.511 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -67.11 -43.3 90.51 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.92 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.81 -43.97 89.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.085 0.469 . . . . 0.0 110.243 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -58.28 -46.91 85.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.435 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 21' ' ' VAL . 75.1 mt -62.66 -46.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.295 176.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.2 mt -58.43 -46.33 86.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.47 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -64.53 -34.57 78.54 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.054 0.454 . . . . 0.0 110.738 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -39.6 90.07 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.804 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 17' ' ' ILE . 45.4 t -67.03 -40.99 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.948 0.404 . . . . 0.0 110.423 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.56 -36.14 77.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.507 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -67.42 -49.15 64.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.234 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -22.86 60.57 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.934 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.36 -25.85 66.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.447 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -68.74 -29.68 68.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.016 0.436 . . . . 0.0 110.773 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -76.91 -52.67 9.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.997 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.31 49.6 6.18 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.974 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -106.1 129.9 54.1 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -73.13 -30.6 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.064 -172.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -71.42 -42.13 68.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.156 0.503 . . . . 0.0 109.898 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 19.6 tp10 -59.63 -49.64 76.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.268 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.2 -37.0 84.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.257 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.21 82.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.891 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -60.8 -49.77 76.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.54 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.54 ' O ' HG13 ' A' ' 40' ' ' ILE . 96.2 mt -58.48 -40.73 83.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.766 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 41' ' ' VAL . 49.0 t30 -58.38 -49.37 77.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 0.0 110.142 178.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -42.07 93.77 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.994 178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -63.83 -34.76 78.64 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.163 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.547 HD11 HG21 ' A' ' 21' ' ' VAL . 93.9 mt -65.99 -46.77 87.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.928 0.394 . . . . 0.0 110.345 175.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 37' ' ' ASN . 29.9 t -61.5 -37.51 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.59 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -66.18 -46.34 77.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.009 173.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.64 94.47 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.454 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.2 mm-40 -59.31 -40.38 86.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.487 ' NZ ' HG12 ' A' ' 41' ' ' VAL . 50.5 mttp -62.11 -37.53 85.49 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.008 0.432 . . . . 0.0 110.476 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -63.07 -46.57 86.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.017 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.477 ' HA2' ' HB1' ' A' ' 10' ' ' ALA . . . -67.76 -45.68 73.5 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.577 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 44' ' ' GLU . 54.1 t -57.14 -40.26 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 122.241 0.216 . . . . 0.0 111.149 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -61.24 -47.98 83.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.618 0.247 . . . . 0.0 110.718 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.7 t -68.14 -42.71 85.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.655 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.489 ' CD1' HD11 ' A' ' 7' ' ' LEU . 21.7 m-85 -58.05 -48.33 80.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.849 0.357 . . . . 0.0 110.451 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.2 tptp -60.72 -45.78 92.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.675 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.16 -50.33 74.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.55 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.64 -34.42 64.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.43 -43.69 88.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 8.3 pt-20 -91.03 12.71 18.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.287 0.565 . . . . 0.0 110.637 -176.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -130.72 12.63 5.33 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.356 175.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.87 143.94 28.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.436 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -82.66 -36.55 25.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.98 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -87.05 116.66 66.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.899 -174.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.95 -27.6 20.57 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.756 2.304 . . . . 0.0 113.025 -177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.94 -45.45 64.16 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.261 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -74.66 -23.81 58.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.729 175.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -43.32 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -66.39 -39.62 89.15 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.814 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 70' ' ' ILE . 61.6 t -61.19 -48.67 87.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.281 177.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.412 HG23 ' HD1' ' A' ' 51' ' ' TYR . 81.2 mt -63.34 -40.63 89.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -61.92 -45.79 92.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 110.303 177.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -59.71 -44.97 93.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.106 176.483 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.458 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 76.8 mt -62.15 -39.86 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.625 177.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.571 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 6.7 mt -57.68 -49.47 76.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.77 -42.18 88.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.441 ' HA ' ' HZ2' ' A' ' 76' ' ' LYS . 95.0 m-20 -58.84 -46.85 86.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.232 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 30.8 mm-40 -66.18 -37.28 85.24 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.371 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 59.0 mm-40 -57.58 -37.7 73.62 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 109.894 173.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HZ2' ' HA ' ' A' ' 73' ' ' ASP . 3.9 ttmp? -68.88 -39.97 79.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.435 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -63.22 -42.72 99.31 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.85 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.9 mt -57.83 -37.51 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.713 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 82' ' ' LYS . 40.7 tt0 -64.93 -42.37 94.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.261 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.455 ' HB3' HD11 ' A' ' 96' ' ' LEU . 51.4 m0 -62.34 -47.24 85.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.166 0.508 . . . . 0.0 110.643 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -70.58 -28.79 65.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 80.0 tttt -57.81 -48.47 79.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.059 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 -35.05 75.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.889 -178.661 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 112.656 0.614 . . . . 0.0 112.656 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.96 -39.68 95.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.903 0.383 . . . . 0.0 111.465 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 12.5 mm-40 -61.97 -35.98 80.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.481 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 97' ' ' VAL . 72.3 t80 -68.66 -42.03 78.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.98 0.419 . . . . 0.0 110.029 176.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.09 -38.73 87.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.899 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 t -72.25 -33.55 67.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.198 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 80' ' ' TRP . 41.7 tp -59.49 -46.89 87.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.163 0.506 . . . . 0.0 109.652 175.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 93' ' ' PHE . 89.6 t -60.3 -37.8 75.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.47 175.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 55.7 tt0 -65.37 -47.84 75.0 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.494 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -42.97 98.45 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 110.328 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.506 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 4.4 t-160 -60.88 -46.69 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.118 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 45.3 tp -58.45 -48.83 79.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.53 -177.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 28.7 mm-40 -58.61 -37.29 75.55 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.692 -177.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -69.32 -43.69 73.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.113 0.482 . . . . 0.0 110.289 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 15.2 mm-40 -65.26 -38.29 89.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.314 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 26.1 mt-30 -61.43 -36.69 81.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.317 0.579 . . . . 0.0 109.966 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 73.2 ttt180 -69.7 -37.93 76.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.934 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -58.52 -44.95 89.72 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.22 -42.89 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.996 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.13 -37.32 71.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.178 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 106' ' ' ARG . 45.9 mt-10 -71.53 -48.77 46.56 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.498 178.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.7 -38.21 81.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.561 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 121.179 0.514 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.493 HD21 ' CE1' ' A' ' 51' ' ' TYR . 30.9 tp -62.91 -37.85 88.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.605 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 111' ' ' ILE . 32.8 tp -56.52 -41.8 77.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.551 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -57.15 -44.8 83.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.462 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.05 98.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.038 0.446 . . . . 0.0 110.757 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -67.71 -44.12 78.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.105 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 99.0 mt-30 -62.79 -39.07 93.09 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.142 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -61.94 -43.72 98.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.977 0.418 . . . . 0.0 110.565 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.88 -44.12 97.9 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.019 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.05 -40.72 86.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.819 0.343 . . . . 0.0 110.681 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -58.24 -46.68 85.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.217 0.532 . . . . 0.0 109.644 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 21' ' ' VAL . 78.7 mt -62.21 -42.59 95.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.058 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 94.4 mt -59.94 -41.59 92.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.606 0.241 . . . . 0.0 110.773 178.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.66 -40.96 96.33 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 121.189 0.519 . . . . 0.0 110.736 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.91 -45.99 92.45 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.137 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.572 HG22 ' HB3' ' A' ' 36' ' ' LEU . 96.7 t -67.48 -44.35 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.77 -36.52 79.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.105 0.479 . . . . 0.0 110.288 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.19 -51.07 67.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.809 0.814 . . . . 0.0 110.206 175.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.11 -23.55 65.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.084 -1.416 . . . . 0.0 112.215 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.551 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -61.94 -31.6 71.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.995 0.426 . . . . 0.0 111.019 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -70.21 -28.94 65.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.266 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.17 -32.86 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.826 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.38 51.76 9.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.12 -0.562 . . . . 0.0 113.636 173.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.519 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.5 t70 -118.7 118.31 31.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -68.25 -31.64 71.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.059 -172.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -70.81 -38.67 73.31 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.118 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 3.2 tp10 -60.06 -49.83 76.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.655 175.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.551 HD21 ' HA ' ' A' ' 25' ' ' ALA . 85.1 mt -59.96 -43.84 94.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.049 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.97 95.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.753 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -64.36 -42.01 96.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.29 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HB3' HG22 ' A' ' 21' ' ' VAL . 97.7 mt -62.94 -44.31 96.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.651 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.29 -39.12 85.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 110.43 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.08 -40.83 97.11 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.743 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.11 -40.65 98.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.081 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.519 HD11 HG21 ' A' ' 21' ' ' VAL . 78.9 mt -60.52 -50.49 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.624 177.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.56 HG13 HG23 ' A' ' 78' ' ' ILE . 85.4 t -61.08 -43.95 97.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.909 0.385 . . . . 0.0 110.699 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.99 -46.03 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.87 71.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.575 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' OE2' ' HB2' ' A' ' 77' ' ' HIS . 1.9 tp10 -62.82 -47.51 83.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.704 -178.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -63.48 -37.33 86.87 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.162 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 49' ' ' LYS . 28.5 tt0 -60.02 -42.15 93.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.94 175.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.55 -46.07 95.05 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.598 175.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 44' ' ' GLU . 83.1 t -58.91 -36.94 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.001 0.429 . . . . 0.0 110.838 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 46' ' ' GLN . 64.8 tttp -56.19 -47.77 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.458 176.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.2 t -71.49 -41.16 72.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.085 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.518 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 12.1 m-85 -58.33 -40.72 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.353 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.11 -40.77 98.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.093 0.473 . . . . 0.0 110.047 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -66.18 -41.09 90.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.945 176.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.63 78.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.177 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.7 90.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.219 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.68 -31.08 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.547 ' HZ2' ' HB3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -79.66 -22.2 43.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.652 -176.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.95 131.35 50.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.331 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -86.0 -44.71 12.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.795 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -87.39 123.69 69.29 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.997 -174.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.91 -37.01 88.48 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.07 2.513 . . . . 0.0 112.67 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.89 -43.63 92.28 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.898 0.38 . . . . 0.0 110.885 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.96 -38.47 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.416 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.54 -36.14 79.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.68 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 28.4 tt0 -64.16 -40.18 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.464 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 70' ' ' ILE . 58.1 t -60.09 -43.58 93.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.127 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.73 -44.76 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.861 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -58.19 -42.52 86.31 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.063 0.459 . . . . 0.0 110.725 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 65' ' ' GLN . 42.4 mtpt -59.12 -45.57 90.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.315 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 66' ' ' VAL . 61.6 mt -67.56 -38.79 81.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.906 0.384 . . . . 0.0 110.447 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.518 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 5.9 mt -56.23 -43.57 78.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.41 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 6.7 tm-20 -63.83 -40.21 96.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.031 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.456 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 31.1 m-20 -69.47 -45.95 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.307 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.512 ' O ' HG13 ' A' ' 78' ' ' ILE . 14.2 mm-40 -68.69 -42.71 77.39 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.786 -177.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.61 -34.9 69.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.369 0.604 . . . . 0.0 109.995 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.646 ' HD2' ' CZ2' ' A' ' 80' ' ' TRP . 1.8 ttmm -66.53 -45.93 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.872 177.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.467 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 39.1 m170 -62.48 -41.3 98.69 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.559 -177.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.56 HG23 HG13 ' A' ' 41' ' ' VAL . 62.1 mt -56.31 -45.35 81.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.881 177.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -57.11 -40.02 76.22 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.731 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.646 ' CZ2' ' HD2' ' A' ' 76' ' ' LYS . 53.2 m0 -65.84 -47.25 75.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.036 0.446 . . . . 0.0 110.997 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -69.99 -31.18 68.75 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.117 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -62.24 -36.13 81.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.888 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.78 -31.76 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.289 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.791 -175.669 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.07 -51.02 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.778 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -73.35 -33.23 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.969 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.83 -48.21 77.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.606 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.9 -37.16 85.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.612 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.7 m -68.67 -41.74 78.86 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.551 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.23 -47.94 82.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.899 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.33 -39.05 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.639 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -62.45 -45.87 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.986 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -72.96 -40.47 65.31 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.649 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 12.0 t-160 -58.47 -42.38 87.33 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.37 -47.91 80.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.42 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.503 ' O ' ' HD3' ' A' ' 106' ' ' ARG . 15.0 mm-40 -60.2 -44.18 95.35 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.226 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.599 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 3.1 m-20 -63.26 -41.73 99.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.217 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.465 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 35.3 mm-40 -67.2 -37.13 83.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.698 0.285 . . . . 0.0 110.996 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -63.66 -35.34 80.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.785 0.326 . . . . 0.0 110.442 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.599 ' HE ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -66.39 -33.41 75.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.95 174.171 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' HG13 ' A' ' 111' ' ' ILE . 64.3 m170 -64.72 -45.66 85.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.173 175.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' A' ' 112' ' ' GLU . 92.1 t -62.84 -40.46 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.084 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.99 -36.92 70.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.076 175.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.38 -46.67 75.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.942 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.462 HG21 HD13 ' A' ' 8' ' ' LEU . 71.7 mt -67.02 -43.41 89.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.85 -176.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 45.3 mm-40 . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 121.152 0.501 . . . . 0.0 111.014 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.951 0.405 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.89 -49.71 49.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.799 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.787 HD11 HG13 ' A' ' 108' ' ' VAL . 20.5 tp -67.77 -45.31 75.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.112 -175.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -58.67 -35.61 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.404 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.07 -45.47 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.976 0.417 . . . . 0.0 110.59 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.21 -44.22 95.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.488 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.03 -36.25 82.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.662 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 17' ' ' ILE . 50.4 tt0 -63.34 -43.99 96.12 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.86 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.575 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.61 -43.99 98.19 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.724 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 HD21 ' A' ' 101' ' ' LEU . 82.2 mt -58.51 -45.79 90.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.903 0.382 . . . . 0.0 110.618 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -59.18 -46.44 88.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.915 178.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . 75.2 mt -59.42 -47.08 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.683 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.9 mt -58.88 -39.61 81.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.347 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 61.0 mtpt -64.69 -39.48 93.74 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.807 0.337 . . . . 0.0 110.864 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -47.5 77.31 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.044 176.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' ILE . 57.4 t -61.3 -39.94 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.034 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.4 -46.56 88.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.988 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -66.33 -42.97 87.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.481 0.658 . . . . 0.0 109.802 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.75 ' HD2' HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -70.45 -23.13 62.66 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.515 -178.434 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.44 ' O ' ' HB1' ' A' ' 90' ' ' ALA . . . -70.82 -33.1 70.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.257 0.551 . . . . 0.0 109.741 172.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -36.63 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.187 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 46.1 mt-10 -57.02 -52.76 64.0 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 171.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.1 57.76 1.87 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.52 -0.764 . . . . 0.0 114.117 168.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -113.93 120.53 40.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 117.245 0.522 . . . . 0.0 109.929 172.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -56.2 -46.96 79.24 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.49 0.494 . . . . 0.0 111.798 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -67.69 -45.88 73.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.065 -172.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.621 ' CG ' ' HD3' ' A' ' 24' ' ' LYS . 9.4 tp10 -67.45 -38.07 83.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.274 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 25' ' ' ALA . 67.2 mt -65.54 -38.35 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.688 0.28 . . . . 0.0 110.921 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.26 -36.21 81.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.365 0.602 . . . . 0.0 110.068 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -67.58 -41.83 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.046 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.75 HD11 ' HD2' ' A' ' 24' ' ' LYS . 94.9 mt -63.9 -39.47 94.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.49 175.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -55.53 -46.29 77.07 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -59.46 -46.78 87.78 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.027 176.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -64.55 -36.7 85.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.629 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 36' ' ' LEU . 80.6 mt -63.39 -50.76 77.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.472 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.41 HG13 HG23 ' A' ' 78' ' ' ILE . 83.8 t -60.61 -40.19 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.249 0.547 . . . . 0.0 110.01 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -59.18 -46.91 87.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.963 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -47.98 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.185 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.1 mm-40 -59.78 -48.75 80.44 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.965 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -61.76 -36.14 80.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.829 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -61.9 -47.85 83.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.489 . . . . 0.0 110.109 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.92 99.63 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.015 176.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 44' ' ' GLU . 70.6 t -56.66 -45.93 82.72 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 122.241 0.216 . . . . 0.0 110.524 178.178 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 49' ' ' LYS . 37.3 ttpt -56.36 -43.75 79.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.903 0.382 . . . . 0.0 110.797 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.01 -43.81 92.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.774 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.598 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 29.9 m-85 -66.62 -35.05 79.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.001 177.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.1 mtpp -62.23 -43.81 97.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -57.18 -49.76 74.95 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.492 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.38 77.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.594 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.3 85.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.646 0.26 . . . . 0.0 111.319 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 59.0 mm-40 -76.75 -34.98 58.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.292 0.568 . . . . 0.0 109.751 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -91.47 23.56 3.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.542 176.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.01 117.3 2.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.08 0.466 . . . . 0.0 110.989 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -91.3 -21.29 21.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.338 -175.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 18.7 m120 -135.52 138.79 29.38 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 43.4 Cg_exo -58.03 -43.08 51.4 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.962 2.441 . . . . 0.0 112.491 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 3.8 mp0 -62.85 -45.94 90.24 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 121.652 0.739 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -71.39 -25.02 62.18 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.711 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.473 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -60.95 -40.43 93.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.145 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 78.2 mt-30 -66.73 -42.16 86.71 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.8 -50.54 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.038 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 67.1 mt -63.57 -38.32 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.644 178.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.428 ' HB2' HH11 ' A' ' 64' ' ' ARG . 14.9 t70 -58.49 -49.33 77.76 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.101 0.476 . . . . 0.0 111.291 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 65' ' ' GLN . 48.6 mmtt -67.35 -38.38 84.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.428 -177.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 70.5 mt -67.11 -42.85 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.287 176.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.598 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -60.13 -40.61 90.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.18 -179.719 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -61.7 -44.37 97.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 17.3 m-20 -60.61 -44.46 96.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.448 178.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 38.6 mm-40 -66.02 -44.07 85.76 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.051 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.3 -38.7 77.56 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 121.708 0.766 . . . . 0.0 109.682 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.7 ttmt -66.08 -41.59 90.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.945 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -60.6 -43.39 97.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.607 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.41 HG23 HG13 ' A' ' 41' ' ' VAL . 73.8 mt -57.65 -41.14 78.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.137 176.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -41.91 96.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.655 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.496 ' HB3' HD11 ' A' ' 96' ' ' LEU . 43.2 m0 -61.9 -47.34 85.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 111.33 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -70.47 -31.09 68.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.071 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.57 -45.89 81.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.945 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.23 69.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.049 0.452 . . . . 0.0 111.1 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.893 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.56 -49.34 77.04 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -174.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -69.84 -30.42 67.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.793 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -68.23 -43.9 76.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.47 77.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.804 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.5 m -60.96 -43.03 99.33 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.743 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 80' ' ' TRP . 55.8 tp -62.47 -47.39 84.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.509 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.414 HG13 HD22 ' A' ' 18' ' ' LEU . 89.6 t -61.62 -40.19 85.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.991 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -60.07 -46.02 90.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.031 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -72.84 -35.17 67.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.503 HD21 HG23 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -57.77 -43.96 85.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.51 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 14.8 mm-40 -62.6 -37.42 86.15 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.472 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.33 -49.45 71.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.158 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -62.84 -36.04 81.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 47.6 mt-30 -63.65 -38.92 92.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.589 0.233 . . . . 0.0 110.762 177.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.6 ttp85 -67.23 -33.45 75.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.789 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -63.83 -45.53 89.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.787 HG13 HD11 ' A' ' 8' ' ' LEU . 99.4 t -59.25 -41.11 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.26 174.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 58.0 mm-40 -57.44 -37.88 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.699 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.65 -46.99 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.038 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.6 mt -62.4 -42.12 94.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.078 0.466 . . . . 0.0 110.812 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 N--CA 1.448 -0.54 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.001 178.19 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 1.7 mp0 . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 121.289 0.566 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.92 -42.24 73.58 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.932 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.46 HD11 HG13 ' A' ' 108' ' ' VAL . 46.8 tp -60.35 -51.19 70.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.209 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 6' ' ' GLU . 5.9 ptpp? -61.82 -35.69 78.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.51 89.0 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.935 0.397 . . . . 0.0 110.714 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.64 -45.6 93.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.739 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -67.25 -30.46 70.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.86 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 17' ' ' ILE . 26.3 tp60 -65.48 -42.43 92.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.951 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.79 -43.16 98.11 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.851 176.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.11 -40.84 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.453 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.26 -47.18 86.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.533 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 21' ' ' VAL . 85.2 mt -61.87 -44.26 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.811 177.069 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.0 mt -58.43 -44.16 89.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.706 0.288 . . . . 0.0 111.059 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -63.82 -38.92 92.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.092 0.472 . . . . 0.0 110.703 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -62.68 -46.4 88.32 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.086 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 17' ' ' ILE . 46.9 t -65.59 -39.79 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.02 -38.22 85.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.034 0.445 . . . . 0.0 110.383 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 9.0 tmtm? -67.75 -50.59 56.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.469 0.652 . . . . 0.0 109.716 176.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.754 ' HA ' ' HG3' ' A' ' 27' ' ' GLU . 42.9 mttm -65.39 -22.8 66.83 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.896 -1.047 . . . . 0.0 112.765 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -62.19 -30.18 70.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.188 0.518 . . . . 0.0 109.86 172.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 64.4 mmtt -75.88 -28.07 57.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.457 177.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.754 ' HG3' ' HA ' ' A' ' 24' ' ' LYS . 46.2 mt-10 -62.29 -39.63 93.62 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.5 23.25 12.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 114.567 169.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -102.15 121.1 41.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.653 0.726 . . . . 0.0 110.373 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -70.47 -36.9 74.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.495 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.69 -33.63 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.0 0.428 . . . . 0.0 110.232 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.484 ' CD ' HH21 ' A' ' 35' ' ' ARG . 7.3 tp10 -59.41 -44.77 92.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.828 174.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 25' ' ' ALA . 93.2 mt -59.31 -44.01 92.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.98 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.75 95.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.974 0.416 . . . . 0.0 111.065 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.484 HH21 ' CD ' ' A' ' 32' ' ' GLU . 39.0 ttp180 -66.12 -42.62 88.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.57 ' HB3' HG22 ' A' ' 21' ' ' VAL . 82.9 mt -66.36 -38.75 88.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.149 178.07 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.3 t30 -60.38 -41.92 94.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.9 0.381 . . . . 0.0 109.981 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -63.54 -36.82 85.05 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.794 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.563 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 6.2 tp10 -61.38 -41.47 97.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.225 0.536 . . . . 0.0 109.759 178.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.39 -46.96 93.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.516 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 37' ' ' ASN . 98.5 t -57.48 -42.22 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.965 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.563 ' HD3' ' HA ' ' A' ' 39' ' ' GLU . 50.4 mtpt -57.58 -46.38 84.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.167 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.86 -47.33 69.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 -177.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . 10.9 mm-40 -62.19 -45.22 94.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -60.59 -46.06 91.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.072 0.463 . . . . 0.0 109.809 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.485 ' O ' HG23 ' A' ' 50' ' ' VAL . 23.0 tp60 -61.38 -43.19 99.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.218 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.69 -45.93 94.07 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.436 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 44' ' ' GLU . 99.6 t -57.49 -43.1 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.55 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.85 -43.82 97.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.677 178.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 46' ' ' GLN . 47.5 t -70.43 -39.85 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.87 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.01 -33.81 76.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.627 0.251 . . . . 0.0 110.803 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -58.84 -45.52 89.86 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.47 -37.7 86.95 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.147 176.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.11 -33.97 72.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.351 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.86 81.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.079 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.46 -6.01 56.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.238 0.542 . . . . 0.0 110.275 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -109.19 26.3 10.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.015 172.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.57 91.4 1.83 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.863 0.363 . . . . 0.0 111.242 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -74.5 -12.03 60.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.287 0.565 . . . . 0.0 110.397 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.965 ' HB3' ' HD3' ' A' ' 63' ' ' LYS . 32.3 m-80 -129.87 124.93 21.9 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.982 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.49 -42.49 5.15 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.823 2.349 . . . . 0.0 113.977 -176.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -45.77 66.46 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.853 0.835 . . . . 0.0 110.181 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.965 ' HD3' ' HB3' ' A' ' 60' ' ' ASN . 9.4 mptt -63.47 -21.43 66.31 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.3 -1.318 . . . . 0.0 111.077 178.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -65.68 -37.78 87.44 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -36.78 69.38 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.671 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 70' ' ' ILE . 58.3 t -61.77 -45.81 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.029 175.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.49 -46.09 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.297 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.17 -40.23 80.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.062 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.426 ' HG2' ' OD2' ' A' ' 73' ' ' ASP . 53.3 tttm -63.29 -47.11 83.7 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.406 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 66' ' ' VAL . 77.4 mt -62.53 -39.86 86.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.173 0.511 . . . . 0.0 109.885 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.71 -42.72 84.36 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.268 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -69.16 -45.04 71.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.438 177.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD2' ' HG2' ' A' ' 69' ' ' LYS . 33.8 m-20 -58.48 -51.5 69.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.435 -178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 78' ' ' ILE . 16.9 mm-40 -63.92 -38.1 89.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.82 -177.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -60.45 -42.56 96.41 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 121.729 0.776 . . . . 0.0 109.89 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 33.2 ttmt -67.59 -37.49 82.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.203 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 60.1 m170 -58.85 -49.81 76.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.329 176.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.661 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 56.1 mt -57.15 -42.92 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.198 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -56.6 -41.92 77.83 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.454 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -64.64 -45.31 87.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.123 0.487 . . . . 0.0 110.891 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.43 ' HD2' ' O ' ' A' ' 77' ' ' HIS . 82.9 m-70 -68.47 -28.07 66.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.309 -175.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 94.1 mttt -56.92 -50.59 72.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 110.507 178.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.35 -35.07 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.43 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.59 -176.377 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.256 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.46 -50.14 74.0 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -173.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -73.64 -30.69 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.06 0.457 . . . . 0.0 111.348 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -72.5 -37.53 68.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.44 -37.18 74.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.061 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.1 m -68.0 -41.54 82.11 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.59 -47.8 82.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.574 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 88.5 t -61.39 -44.97 99.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.962 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -65.18 -43.28 92.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.308 . . . . 0.0 111.065 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.54 -43.9 97.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.133 0.492 . . . . 0.0 110.53 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.4 t-160 -66.27 -46.2 77.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.154 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 97' ' ' VAL . 2.2 tt -57.32 -46.2 83.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.027 -175.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -62.61 -34.09 76.32 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.6 -42.14 74.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.124 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -65.23 -33.88 77.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.498 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -60.16 -43.02 96.13 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.037 176.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.2 ttt-85 -67.31 -35.56 79.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.456 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -60.46 -51.71 68.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.008 0.432 . . . . 0.0 110.023 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.46 HG13 HD11 ' A' ' 8' ' ' LEU . 97.0 t -60.63 -43.97 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.527 177.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.49 -38.75 75.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.495 177.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -70.09 -39.86 75.33 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.445 ' HB ' HD13 ' A' ' 8' ' ' LEU . 69.4 mt -72.58 -50.12 36.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.434 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--N 1.327 -0.398 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -175.745 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.968 0.413 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.0 tp -69.7 -42.53 73.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.455 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.584 HD11 HG13 ' A' ' 108' ' ' VAL . 32.9 tp -65.52 -49.5 68.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.62 -177.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -62.75 -35.02 78.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.322 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.77 94.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.94 0.4 . . . . 0.0 111.111 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.39 -41.73 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.344 0.592 . . . . 0.0 110.315 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.33 -26.52 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.108 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.43 -43.71 96.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.286 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.28 -39.86 98.27 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.759 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.602 HG23 HD11 ' A' ' 101' ' ' LEU . 76.9 mt -60.72 -42.1 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 110.756 176.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.1 -42.67 99.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.445 0.64 . . . . 0.0 110.028 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 21' ' ' VAL . 77.6 mt -61.65 -42.46 94.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.762 175.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.507 HD22 HG13 ' A' ' 97' ' ' VAL . 93.2 mt -61.2 -38.67 87.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.762 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -60.23 -42.05 94.4 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.556 0.693 . . . . 0.0 110.644 174.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.96 -43.38 79.16 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.116 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 17' ' ' ILE . 90.7 t -61.49 -40.55 86.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.783 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.64 -38.26 87.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.062 0.458 . . . . 0.0 110.602 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -66.58 -49.81 65.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 109.647 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.612 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 60.7 mttm -65.25 -22.17 66.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.053 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -65.34 -33.62 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.03 0.443 . . . . 0.0 110.341 174.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -74.86 -28.41 60.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.464 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.612 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 30.1 mm-40 -55.84 -47.47 77.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 175.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.85 64.21 1.9 Allowed Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.7 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.534 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.1 t70 -135.74 130.33 33.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.621 0.211 . . . . 0.0 110.652 175.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.15 -50.54 73.27 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.434 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -62.16 -43.23 99.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.864 -174.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.56 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 41.2 mm-40 -60.81 -49.63 76.72 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.951 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 86.4 mt -61.79 -42.81 99.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.123 -178.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.2 98.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.073 0.463 . . . . 0.0 110.618 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -65.59 -44.02 87.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.244 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 95.9 mt -63.0 -43.99 97.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.255 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -56.35 -48.18 77.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -36.58 79.29 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 177.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.89 -39.49 89.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.175 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 36' ' ' LEU . 88.8 mt -60.05 -49.26 84.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.139 175.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.654 HG13 HG23 ' A' ' 78' ' ' ILE . 57.8 t -58.08 -42.05 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.414 177.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -62.0 -44.68 96.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.424 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.82 -44.95 94.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.664 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -59.2 -49.51 77.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.457 177.083 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -61.92 -38.88 90.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.148 -175.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.33 -48.45 80.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.281 0.562 . . . . 0.0 110.185 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.43 -37.57 90.3 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.587 HG11 ' OE2' ' A' ' 75' ' ' GLU . 48.3 t -56.47 -47.56 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -65.18 -36.48 84.33 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.299 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.27 -41.83 93.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.263 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -62.68 -39.43 93.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.645 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.49 -44.08 97.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.719 0.295 . . . . 0.0 110.659 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -66.31 -37.97 86.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.24 77.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.79 76.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.121 0.486 . . . . 0.0 110.656 176.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -74.07 -31.52 62.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.14 176.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -82.07 -2.25 51.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.336 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.59 110.5 4.85 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.164 0.507 . . . . 0.0 110.468 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -83.3 20.23 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.626 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.478 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 14.7 t-20 -164.78 126.35 1.46 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.633 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.09 -37.62 82.94 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.206 2.604 . . . . 0.0 113.196 -175.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.478 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 30.3 mt-10 -62.04 -43.99 97.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.491 0.662 . . . . 0.0 110.328 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -61.76 -39.08 90.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.986 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -66.31 -36.74 83.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.945 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.44 -41.77 81.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.801 0.334 . . . . 0.0 110.36 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.8 t -60.08 -51.18 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.389 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.35 -42.2 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.523 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.4 -43.78 96.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.836 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.799 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -60.74 -44.53 96.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.299 177.526 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.479 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 77.6 mt -61.35 -42.98 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.07 176.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.42 -48.06 77.76 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.226 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.98 -44.27 97.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.504 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 19.8 m-20 -65.58 -42.05 92.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.555 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 12.2 mm-40 -66.13 -43.21 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.219 -0.301 . . . . 0.0 110.379 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.587 ' OE2' HG11 ' A' ' 48' ' ' VAL . 18.2 mm-40 -58.54 -34.94 71.57 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.462 0.648 . . . . 0.0 110.205 174.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 33.0 ttmt -67.94 -44.34 77.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.379 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 65.4 m170 -58.5 -43.14 88.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.767 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.654 HG23 HG13 ' A' ' 41' ' ' VAL . 76.8 mt -56.25 -41.42 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.956 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.505 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 39.9 tt0 -64.4 -40.1 95.15 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.935 -178.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -60.34 -45.63 92.77 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.226 0.536 . . . . 0.0 110.312 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -69.46 -30.19 68.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.647 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 45.8 mtmt -62.91 -41.19 99.36 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.457 175.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.23 86.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.245 0.545 . . . . 0.0 110.396 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.964 176.894 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.213 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mp0 -63.27 -49.98 71.95 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.052 0.453 . . . . 0.0 110.58 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -68.25 -32.66 73.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.074 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -68.14 -43.69 77.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.061 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.98 99.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.544 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.5 m -65.96 -40.04 90.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.816 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.68 -47.41 86.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.882 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.507 HG13 HD22 ' A' ' 18' ' ' LEU . 85.9 t -62.51 -46.76 95.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.676 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.17 -45.6 92.54 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.203 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.91 -37.88 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.419 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -63.45 -43.51 97.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.109 0.48 . . . . 0.0 109.749 177.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 15' ' ' ILE . 39.3 tp -57.4 -39.1 75.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.258 -178.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -57.06 -44.61 83.18 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.783 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.32 -41.72 72.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.996 0.427 . . . . 0.0 110.641 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.428 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 51.3 mm-40 -63.28 -40.85 98.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.501 -177.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 92.1 mt-30 -63.31 -32.76 74.26 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.906 0.384 . . . . 0.0 110.512 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 106' ' ' ARG . 0.4 OUTLIER -72.98 -35.72 66.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.74 178.182 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.405 ' O ' HG13 ' A' ' 111' ' ' ILE . 56.1 m170 -57.55 -52.31 65.93 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.13 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.584 HG13 HD11 ' A' ' 8' ' ' LEU . 97.1 t -58.56 -43.87 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.033 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.87 -43.31 77.01 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.388 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.57 -48.14 50.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.79 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 107' ' ' HIS . 83.3 mt -60.08 -40.9 84.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.175 -175.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 108' ' ' VAL . 47.3 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 111.424 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.028 0.442 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.12 -36.97 78.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.378 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.804 HD11 HG13 ' A' ' 108' ' ' VAL . 27.1 tp -55.32 -34.26 64.03 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.351 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -57.49 -36.05 71.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.648 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.31 -45.53 90.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.945 -177.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -65.6 -43.39 89.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.238 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -67.75 -29.15 68.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.545 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -61.02 -43.84 98.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.0 110.324 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.567 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -72.14 -39.71 57.63 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.771 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.612 HG23 HD11 ' A' ' 101' ' ' LEU . 69.0 mt -58.38 -42.42 83.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.629 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -59.26 -46.28 88.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.007 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.557 ' O ' HG23 ' A' ' 21' ' ' VAL . 90.3 mt -62.18 -47.28 93.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.931 176.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.569 HD22 HG13 ' A' ' 97' ' ' VAL . 96.3 mt -58.46 -43.01 88.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.754 -176.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 13.3 mmmm -66.81 -34.56 78.09 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.99 0.424 . . . . 0.0 111.05 177.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.509 ' OE2' ' HE2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -68.5 -40.69 80.78 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.991 176.484 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 17' ' ' ILE . 99.1 t -61.0 -39.84 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.795 177.055 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.09 -38.28 79.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.961 0.41 . . . . 0.0 110.729 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -67.49 -50.38 59.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.94 0.876 . . . . 0.0 109.841 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.509 ' HE2' ' OE2' ' A' ' 20' ' ' GLU . 68.5 mttm -62.2 -25.08 67.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.204 -1.362 . . . . 0.0 111.888 -177.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.7 92.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.723 177.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.543 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 7.2 tmtt? -74.24 -37.76 63.7 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' OE2' ' HA ' ' A' ' 24' ' ' LYS . 40.0 mt-10 -57.67 -44.13 85.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.844 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.66 60.16 3.53 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.701 170.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 12.4 t70 -111.12 123.56 50.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -60.71 -51.33 69.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.655 -175.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -62.75 -40.83 98.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.628 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 7.1 tp10 -60.56 -49.71 76.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.525 177.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.536 HD23 HD12 ' A' ' 36' ' ' LEU . 93.1 mt -60.87 -40.37 92.71 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.245 -178.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.81 -43.37 98.99 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.048 0.451 . . . . 0.0 110.55 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -66.14 -39.37 89.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.278 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 92.4 mt -58.7 -47.3 85.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.231 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.574 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.9 t30 -57.37 -47.79 80.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.131 0.491 . . . . 0.0 109.973 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -37.63 88.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.411 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.06 -43.08 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.12 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 36' ' ' LEU . 76.2 mt -62.96 -45.15 99.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.479 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 37' ' ' ASN . 39.2 t -59.16 -45.34 92.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.006 0.431 . . . . 0.0 110.436 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -35.48 81.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.235 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.39 -47.48 76.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.668 0.271 . . . . 0.0 110.677 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.2 mm-40 -63.5 -43.55 96.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.21 176.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -58.8 -38.13 77.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.912 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -62.97 -47.6 82.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.448 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.464 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -70.05 -46.93 48.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.08 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.515 HG21 HD11 ' A' ' 78' ' ' ILE . 86.6 t -57.76 -36.43 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 0.0 111.305 -176.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -55.74 -49.06 74.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.556 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.3 t -70.93 -42.15 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.025 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.589 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 31.0 m-85 -58.56 -43.17 89.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.002 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -39.56 93.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.165 0.507 . . . . 0.0 109.855 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.4 -42.36 79.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.206 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.74 76.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.524 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.52 -33.93 70.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.959 0.409 . . . . 0.0 111.478 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -85.52 -11.7 53.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.023 0.44 . . . . 0.0 111.061 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -100.29 1.39 41.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.229 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.74 112.14 4.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.299 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -83.42 -2.43 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.037 -178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -133.32 124.53 18.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.048 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.13 -35.24 42.9 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.034 2.489 . . . . 0.0 113.478 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.55 -44.76 66.8 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.336 0.589 . . . . 0.0 109.898 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -63.3 -36.34 83.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.955 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.6 ttp85 -61.58 -38.98 89.54 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.554 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -39.98 96.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.389 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.5 -50.43 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.323 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.71 -41.56 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.741 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.71 -43.65 98.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.618 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -60.91 -44.02 97.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.465 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.0 mt -64.96 -40.99 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.589 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 2.7 mt -57.05 -40.68 77.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.855 178.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.75 -44.98 93.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.422 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.45 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 10.7 m-20 -69.81 -43.62 71.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.923 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.45 ' O ' HG13 ' A' ' 78' ' ' ILE . 24.5 mm-40 -62.77 -44.15 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -57.89 -42.3 84.34 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 121.037 0.446 . . . . 0.0 110.063 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HZ2' ' HB2' ' A' ' 76' ' ' LYS . 3.1 ttmp? -62.42 -42.78 99.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.196 178.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 66.7 m170 -57.28 -43.71 83.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.235 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.515 HD11 HG21 ' A' ' 48' ' ' VAL . 59.3 mt -56.41 -39.79 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.098 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -59.78 -41.98 92.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.73 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 30.5 m0 -60.84 -46.34 90.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.178 0.513 . . . . 0.0 110.683 -177.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -70.99 -33.51 70.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.495 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -64.48 -37.99 89.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.935 0.397 . . . . 0.0 110.506 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.11 89.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.145 179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.638 176.44 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -61.97 -48.38 80.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.252 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -62.85 -42.31 99.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 97' ' ' VAL . 39.5 t80 -64.68 -43.98 91.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.4 -178.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.89 -35.31 80.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.1 t -68.44 -41.0 80.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.931 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.56 -46.31 90.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.12 0.486 . . . . 0.0 110.094 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.569 HG13 HD22 ' A' ' 18' ' ' LEU . 65.2 t -58.13 -45.09 88.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.88 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.75 -44.98 94.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.265 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -62.47 -41.0 98.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.348 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.524 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -66.3 -43.12 87.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.69 177.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 15' ' ' ILE . 57.5 tp -56.57 -46.12 80.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.906 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -56.73 -44.35 81.58 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.454 -178.396 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' A' ' 106' ' ' ARG . 2.9 t70 -67.89 -39.25 83.7 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.45 -176.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.47 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 41.4 mm-40 -66.21 -36.56 83.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 44.3 mt-30 -66.14 -35.91 81.73 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.531 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 68.2 mtt180 -62.33 -37.2 84.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.943 0.401 . . . . 0.0 110.33 175.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.456 ' O ' HG13 ' A' ' 111' ' ' ILE . 52.9 m170 -64.3 -41.76 96.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.736 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.804 HG13 HD11 ' A' ' 8' ' ' LEU . 97.8 t -64.51 -39.9 87.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 175.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 71.5 mm-40 -56.85 -44.98 82.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.893 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -71.17 -31.07 67.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.472 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 107' ' ' HIS . 71.4 mt -72.78 -49.17 42.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.789 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.92 -42.39 94.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.336 0.589 . . . . 0.0 110.025 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.603 HD11 HG13 ' A' ' 108' ' ' VAL . 22.0 tp -58.69 -36.2 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.072 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.437 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 49.9 mtpt -57.29 -35.52 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.915 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.49 86.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.505 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.26 -44.37 97.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.102 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 93.7 mt-30 -59.35 -42.91 92.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -61.19 -43.84 98.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.779 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.581 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.14 -43.96 92.16 Favored Glycine 0 C--O 1.224 -0.509 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.155 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.519 HG23 HD11 ' A' ' 101' ' ' LEU . 62.4 mt -58.65 -41.38 82.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.157 0.503 . . . . 0.0 110.551 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -58.32 -48.14 81.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.023 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 21' ' ' VAL . 79.8 mt -65.15 -40.56 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.15 177.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.631 HD22 HG13 ' A' ' 97' ' ' VAL . 94.0 mt -60.17 -41.42 92.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.605 0.241 . . . . 0.0 110.952 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -65.11 -38.54 91.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.149 0.499 . . . . 0.0 110.807 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.13 -38.59 82.38 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.259 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.4 t -71.76 -39.7 68.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.644 176.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.0 tp -59.03 -37.21 76.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.191 0.52 . . . . 0.0 110.018 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -61.92 -50.01 73.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.785 175.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.547 ' HD3' HD11 ' A' ' 36' ' ' LEU . 57.9 mttm -68.33 -24.16 64.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.376 -177.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.94 67.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.146 0.498 . . . . 0.0 110.353 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -76.25 -33.8 59.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.079 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -62.32 -47.13 85.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.795 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.96 54.92 3.45 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.497 -0.774 . . . . 0.0 113.36 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.647 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.1 t70 -102.47 110.6 22.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 173.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -53.98 -55.13 29.99 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.226 -173.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -67.6 -41.32 84.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -175.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.8 tt0 -64.05 -38.59 91.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.579 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 71.3 mt -57.0 -44.42 82.74 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.5 -36.74 84.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.288 0.566 . . . . 0.0 110.587 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 ttt85 -65.8 -45.8 81.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.471 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD11 ' HD3' ' A' ' 24' ' ' LYS . 85.6 mt -59.47 -39.23 83.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.588 176.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.41 -48.11 74.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.176 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.91 -36.18 82.66 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.035 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.8 -41.23 99.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.437 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 36' ' ' LEU . 75.4 mt -61.0 -48.31 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.655 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.14 -38.3 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.617 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.93 -43.18 95.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.888 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.35 82.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mm-40 -60.2 -42.77 95.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.42 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.06 -40.2 84.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.924 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -65.29 -46.95 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 0.0 110.282 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.52 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -58.83 -40.93 95.74 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.408 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.476 HG13 HD21 ' A' ' 71' ' ' LEU . 43.7 t -56.09 -39.05 56.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.866 0.365 . . . . 0.0 111.097 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.94 -41.59 95.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.8 t -65.72 -46.53 88.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.863 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.619 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 49.5 m-85 -62.44 -41.24 98.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.202 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -59.1 -45.25 91.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.248 0.547 . . . . 0.0 109.936 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -43.04 99.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.567 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.19 -33.79 63.54 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.33 75.55 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -83.77 4.65 28.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.977 0.418 . . . . 0.0 111.153 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -99.11 -13.15 19.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.447 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.44 94.78 3.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.535 -172.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -70.9 -34.83 71.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.222 170.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 20.7 t-20 -83.59 126.02 72.22 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.25 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 34.4 Cg_exo -60.64 -37.33 80.31 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.309 2.673 . . . . 0.0 113.267 -176.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -62.71 -43.31 99.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.789 0.328 . . . . 0.0 110.826 -179.701 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.61 -40.72 97.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.426 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.13 -50.85 71.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 65' ' ' GLN . 6.5 tp60 -61.84 -46.72 88.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.525 -174.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.42 -52.72 57.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.927 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.26 -44.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.04 -48.28 79.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.23 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.942 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -70.96 -36.36 72.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.55 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.49 -38.49 82.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.619 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -56.45 -47.03 80.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.147 175.442 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.82 -40.74 85.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.88 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 9.0 m-20 -63.6 -40.09 96.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -68.03 -37.48 81.4 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.163 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 60.6 mm-40 -57.95 -41.01 81.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.87 0.843 . . . . 0.0 109.65 173.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 32.4 ttmt -63.89 -35.9 82.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.061 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -66.71 -41.77 87.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.727 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.38 -39.33 85.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.194 0.521 . . . . 0.0 109.733 175.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -60.79 -42.16 97.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.779 176.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.429 ' HB3' HD11 ' A' ' 96' ' ' LEU . 50.4 m0 -62.48 -45.57 92.44 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.868 0.366 . . . . 0.0 110.621 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.544 ' HA ' HD21 ' A' ' 96' ' ' LEU . 6.1 m80 -65.41 -45.75 82.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.296 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -62.98 -34.91 78.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 0.0 111.366 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.39 -50.56 30.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.474 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -173.847 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -61.16 -49.42 77.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.964 0.411 . . . . 0.0 111.27 -176.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.79 -30.31 68.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.25 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.95 -48.05 72.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.423 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.82 88.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.8 m -62.86 -40.59 97.94 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.812 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.544 HD21 ' HA ' ' A' ' 81' ' ' HIS . 57.7 tp -62.61 -47.49 83.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.526 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.631 HG13 HD22 ' A' ' 18' ' ' LEU . 89.0 t -66.56 -37.94 80.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.25 -178.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -64.88 -41.38 95.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.639 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 99' ' ' GLN . 9.9 mm-40 -67.47 -38.22 84.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.392 . . . . 0.0 110.868 176.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.455 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 21.0 t-160 -61.24 -45.13 95.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.763 176.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.519 HD11 HG23 ' A' ' 15' ' ' ILE . 49.3 tp -58.41 -42.02 86.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.12 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -44.62 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.654 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -46.07 65.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.92 0.39 . . . . 0.0 110.659 -178.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 31.4 mm-40 -62.81 -33.66 75.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.115 -176.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -64.13 -35.77 81.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.128 0.489 . . . . 0.0 110.127 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -70.72 -35.12 72.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.326 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -59.82 -50.26 74.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.852 177.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.603 HG13 HD11 ' A' ' 8' ' ' LEU . 94.8 t -58.66 -45.16 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.25 -46.49 82.98 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.503 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.9 -46.12 58.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.538 -175.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.425 ' HB ' HD13 ' A' ' 8' ' ' LEU . 85.7 mt -59.26 -36.84 65.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.738 0.304 . . . . 0.0 111.619 -176.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.801 179.054 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.083 0.468 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.477 HD11 ' CZ ' ' A' ' 51' ' ' TYR . 22.0 tp -67.22 -44.97 78.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.78 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.582 HD11 HG13 ' A' ' 108' ' ' VAL . 30.7 tp -62.19 -47.21 85.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.449 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.91 -36.38 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.16 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.05 -46.07 79.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.954 0.407 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -66.38 -39.44 89.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.753 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -68.59 -32.45 72.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.061 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -68.5 -40.92 80.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.854 177.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.91 -40.62 95.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.455 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.593 HG23 HD11 ' A' ' 101' ' ' LEU . 67.2 mt -58.91 -45.16 92.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.569 0.223 . . . . 0.0 110.419 174.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -58.79 -45.39 89.96 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 21' ' ' VAL . 75.0 mt -60.8 -44.98 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.856 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.589 HD22 HG13 ' A' ' 97' ' ' VAL . 96.1 mt -63.38 -38.64 91.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.698 0.285 . . . . 0.0 111.047 177.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 7.0 mmpt? -62.75 -38.53 90.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.028 0.442 . . . . 0.0 110.471 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 8.9 tp10 -65.21 -46.66 79.79 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.653 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.56 ' HA ' HD13 ' A' ' 36' ' ' LEU . 60.6 t -61.61 -40.1 85.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.949 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.52 -41.0 98.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.028 0.442 . . . . 0.0 110.257 177.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -61.81 -51.25 69.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.009 0.909 . . . . 0.0 110.004 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.739 ' HD2' HD11 ' A' ' 36' ' ' LEU . 60.5 mttm -69.75 -21.97 63.4 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.623 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.23 -28.16 69.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.222 0.534 . . . . 0.0 110.232 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.6 -28.57 58.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.716 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 7.4 mm-40 -54.36 -49.65 69.31 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.966 0.413 . . . . 0.0 110.577 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.0 -5.45 50.22 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.467 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -85.8 123.96 31.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.258 0.529 . . . . 0.0 110.391 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.03 -30.28 58.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.235 -173.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -69.54 -41.36 76.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.022 0.439 . . . . 0.0 110.655 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 12.8 tt0 -62.48 -38.94 91.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.133 177.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.48 -39.02 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.684 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.98 87.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.108 0.48 . . . . 0.0 110.477 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 4.8 tpm_? -59.24 -49.93 75.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.009 174.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.739 HD11 ' HD2' ' A' ' 24' ' ' LYS . 90.0 mt -62.34 -35.89 80.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.703 -178.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -55.15 -44.54 75.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.036 0.446 . . . . 0.0 110.393 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.81 -38.88 87.33 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.799 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.494 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 12.0 tp10 -65.78 -35.13 79.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.317 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.499 HD11 HG21 ' A' ' 21' ' ' VAL . 77.9 mt -63.29 -46.52 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.316 176.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 62.1 t -58.37 -42.97 85.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.199 176.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 39' ' ' GLU . 50.7 mtpt -60.37 -43.68 96.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.467 177.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.55 80.54 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 111.123 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.6 mm-40 -62.65 -42.58 99.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.288 178.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -59.81 -44.06 94.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.492 178.314 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.19 -42.17 99.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.186 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.71 96.0 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.896 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.744 HG13 HD21 ' A' ' 71' ' ' LEU . 70.7 t -57.26 -38.57 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.747 0.308 . . . . 0.0 110.913 177.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.63 -42.79 89.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.068 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.0 t -70.9 -43.21 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 49.4 m-85 -61.06 -41.67 97.05 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.142 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.94 -41.95 92.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.929 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -46.7 87.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.336 177.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.74 -33.31 68.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.754 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.6 -36.67 79.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.989 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -77.64 -19.87 54.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.559 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -93.43 12.99 23.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.943 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.013 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . . . -64.23 118.52 8.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -88.06 -10.56 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.11 0.481 . . . . 0.0 110.344 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' ND2' ' HD2' ' A' ' 61' ' ' PRO . 25.5 t-20 -161.15 138.83 6.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.743 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HD2' ' ND2' ' A' ' 60' ' ' ASN . 3.5 Cg_endo -47.49 -32.08 14.83 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 124.337 3.358 . . . . 0.0 114.826 -175.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -57.06 -38.71 73.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.158 0.504 . . . . 0.0 111.018 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 1.013 ' HD3' ' HA ' ' A' ' 58' ' ' ALA . 64.7 tttp -64.65 -36.77 85.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.33 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.564 ' HE ' ' HB2' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -66.61 -42.14 87.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 -178.624 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -58.62 -43.05 89.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.547 0.213 . . . . 0.0 111.266 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.08 -50.72 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.564 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 93.7 mt -62.23 -46.26 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.863 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.564 ' HB2' ' HE ' ' A' ' 64' ' ' ARG . 20.3 t70 -60.4 -49.01 79.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.488 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 1.015 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 9.1 mmpt? -65.58 -43.83 88.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.604 -176.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.472 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 68.8 mt -65.52 -40.63 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.323 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.744 HD21 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -57.6 -46.38 84.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.559 177.033 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -65.69 -37.32 86.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.56 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 6.7 m-20 -61.94 -38.6 89.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.688 174.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 37.5 mm-40 -67.24 -42.24 84.31 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 54.3 mm-40 -57.97 -40.54 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.356 0.598 . . . . 0.0 110.106 174.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.6 ttpt -58.58 -40.55 83.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.89 176.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -64.38 -41.27 96.78 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.663 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.7 HG22 ' HE3' ' A' ' 82' ' ' LYS . 44.1 mt -67.02 -37.37 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.428 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.86 -42.13 71.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.271 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.434 ' HB3' HD11 ' A' ' 96' ' ' LEU . 39.5 m0 -65.12 -45.13 86.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -69.22 -29.76 67.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.83 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 78' ' ' ILE . 95.8 mttt -59.36 -40.89 87.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.825 0.345 . . . . 0.0 110.47 175.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.97 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.931 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.009 179.521 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.06 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.34 -48.82 76.39 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.767 0.318 . . . . 0.0 111.218 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -64.5 -40.67 96.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.656 177.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -65.95 -45.77 80.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.719 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.96 90.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.794 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -67.65 -38.2 83.5 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.389 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 80' ' ' TRP . 56.4 tp -61.87 -47.24 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.385 177.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.589 HG13 HD22 ' A' ' 18' ' ' LEU . 72.0 t -62.25 -37.64 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.205 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.52 -41.91 96.1 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.695 0.283 . . . . 0.0 111.015 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -69.5 -40.75 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -58.98 -41.15 86.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.859 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 15' ' ' ILE . 52.6 tp -57.7 -47.37 82.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.393 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.46 -44.76 80.85 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.534 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.24 -44.82 90.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.237 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -63.64 -38.03 89.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.48 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -62.08 -37.48 85.2 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.403 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 106' ' ' ARG . 15.9 tpt180 -71.89 -32.64 67.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.275 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -61.43 -46.25 90.89 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.582 HG13 HD11 ' A' ' 8' ' ' LEU . 84.8 t -62.26 -40.55 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.536 176.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -57.67 -41.83 82.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.175 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -46.68 88.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.039 0.447 . . . . 0.0 110.025 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.71 -50.75 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -174.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 . . . . . 0 C--N 1.33 -0.281 0 N-CA-C 113.923 1.082 . . . . 0.0 113.923 -166.725 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.892 0.377 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -95.94 -5.76 40.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.834 -175.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 71.43 121.99 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.531 0.681 . . . . 0.0 112.707 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 tt -135.63 -23.2 1.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.167 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' HA ' ' HD3' ' A' ' 5' ' ' ARG . 18.3 mmt180 -60.33 -45.03 94.88 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.56 -31.86 69.06 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.991 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.27 -46.32 89.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.087 0.47 . . . . 0.0 110.08 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD11 HG13 ' A' ' 108' ' ' VAL . 36.7 tp -62.36 -46.28 89.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.362 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -58.32 -36.06 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.568 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.57 -46.11 87.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.947 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.94 -42.19 94.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.172 177.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -61.21 -39.33 89.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.093 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -62.0 -44.15 97.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.201 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.12 -42.26 94.54 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.776 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.541 HG23 HD11 ' A' ' 101' ' ' LEU . 68.1 mt -58.55 -43.37 86.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.88 0.371 . . . . 0.0 110.489 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -59.18 -47.99 83.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.104 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.57 HD13 ' HG3' ' A' ' 39' ' ' GLU . 95.1 mt -62.88 -44.67 99.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.085 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.9 mt -58.51 -45.34 89.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.881 0.372 . . . . 0.0 110.989 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -64.65 -35.89 82.49 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 121.273 0.559 . . . . 0.0 110.646 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.02 -44.98 78.89 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.205 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.549 HG13 HD13 ' A' ' 36' ' ' LEU . 95.4 t -63.91 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.248 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.32 -39.81 84.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.098 0.475 . . . . 0.0 110.741 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -65.23 -50.85 64.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.757 0.789 . . . . 0.0 109.392 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 49.6 mttm -65.86 -22.58 66.54 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.722 -176.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.68 74.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.279 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 31.0 mmtm -76.56 -29.05 56.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.329 175.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' OE1' ' HG2' ' A' ' 24' ' ' LYS . 98.3 mt-10 -58.63 -40.2 82.68 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 173.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.98 58.61 4.68 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.533 -0.758 . . . . 0.0 114.471 168.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.584 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.2 t70 -122.84 131.55 53.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.019 0.41 . . . . 0.0 110.399 171.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -61.16 -48.48 81.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.526 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -62.4 -41.78 98.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.307 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.7 tp10 -60.08 -47.54 85.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.455 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 88.8 mt -59.32 -42.16 90.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.615 0.245 . . . . 0.0 111.282 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.5 98.3 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.118 0.485 . . . . 0.0 110.476 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -59.93 -47.49 85.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.834 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 96.3 mt -59.04 -46.02 89.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.494 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 41' ' ' VAL . 67.1 t30 -60.01 -44.55 94.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.2 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -63.79 -37.27 86.74 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.43 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.57 ' HG3' HD13 ' A' ' 17' ' ' ILE . 5.9 tp10 -60.79 -45.17 95.45 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.273 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.458 HD11 HG21 ' A' ' 21' ' ' VAL . 70.6 mt -64.32 -50.68 75.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.858 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 37' ' ' ASN . 79.4 t -57.53 -44.78 85.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.036 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.62 -43.22 93.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.131 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.6 -47.82 65.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.4 mm-40 -59.97 -43.51 95.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.02 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -62.23 -42.03 98.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.383 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -66.39 -38.26 87.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.114 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.45 -45.42 94.44 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.998 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 44' ' ' GLU . 66.3 t -57.62 -39.96 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.072 0.463 . . . . 0.0 110.688 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.41 -44.7 95.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.762 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.21 -45.45 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -64.71 -34.94 79.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.56 ' O ' ' HE2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -62.45 -43.65 98.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.008 0.432 . . . . 0.0 110.074 175.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.6 -46.52 89.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.025 176.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.82 76.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.701 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.42 88.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.266 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -74.54 -30.04 61.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.275 0.559 . . . . 0.0 110.017 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -89.48 10.53 22.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.22 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.17 123.74 22.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.481 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.418 ' H ' ' HG2' ' A' ' 59' ' ' ARG . 8.5 ptt180 -70.69 -47.61 58.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.527 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.67 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 2.0 m-20 -108.84 139.07 20.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.34 -27.49 84.96 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.477 2.118 . . . . 0.0 111.025 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.85 -45.59 93.14 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.228 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.67 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 60.6 mmtt -73.92 -32.18 63.42 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.842 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -64.53 -36.32 83.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -54.56 -47.48 73.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.977 0.417 . . . . 0.0 110.619 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.8 -49.18 84.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.506 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.28 -46.09 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.033 0.444 . . . . 0.0 111.139 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.92 -39.39 91.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.429 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.02 -47.64 85.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.466 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.71 -37.3 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.653 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.471 HD11 ' HA ' ' A' ' 52' ' ' LYS . 6.5 mt -55.14 -45.25 75.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.275 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -69.24 -41.07 77.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.925 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 5.7 m-20 -66.19 -38.29 87.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.24 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.438 ' O ' HG13 ' A' ' 78' ' ' ILE . 49.7 mm-40 -70.56 -40.46 73.35 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.497 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.8 -41.57 82.42 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 121.2 0.524 . . . . 0.0 109.592 172.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 36.9 ttmt -58.07 -43.0 86.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.582 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 65.6 m170 -62.65 -45.2 93.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.551 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.1 mt -57.51 -39.95 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.508 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.9 -41.74 92.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.332 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -64.47 -45.83 85.69 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.194 0.521 . . . . 0.0 110.884 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -69.63 -29.4 66.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.449 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -59.24 -38.2 79.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.535 172.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.09 -40.24 78.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.418 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -29.43 70.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.781 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.4 m -70.78 -13.68 62.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.812 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -93.39 -60.68 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -148.01 151.79 36.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.076 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.26 164.84 32.51 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.831 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -117.3 158.52 24.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.58 -50.66 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.332 0.395 . . . . 0.0 111.85 -175.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.46 -45.7 93.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.009 0.433 . . . . 0.0 111.062 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.54 -39.86 92.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.065 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 97' ' ' VAL . 71.6 t80 -62.61 -47.65 82.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.464 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.03 85.39 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.7 m -67.84 -40.11 83.75 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.718 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.18 -47.36 86.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.144 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 93' ' ' PHE . 90.0 t -58.78 -47.29 89.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -66.25 -36.91 84.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.197 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -69.79 -42.97 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -58.98 -39.47 81.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.671 176.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.541 HD11 HG23 ' A' ' 15' ' ' ILE . 55.6 tp -56.94 -46.89 81.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.825 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.578 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 16.6 mm-40 -58.69 -39.23 80.16 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.435 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -63.13 -49.51 74.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.257 0.551 . . . . 0.0 110.36 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.438 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 41.5 mm-40 -63.86 -34.59 78.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.166 -177.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 95.6 mt-30 -63.64 -36.49 84.01 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.797 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 62.6 mtt180 -63.91 -43.45 95.92 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 175.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -58.63 -49.22 78.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.003 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.472 HG13 HD11 ' A' ' 8' ' ' LEU . 56.1 t -60.74 -43.57 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.373 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -57.29 -42.97 82.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.2 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.66 -41.55 68.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.857 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.2 mt -72.82 -39.38 59.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.21 -26.67 66.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -82.71 97.02 8.34 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.67 0.747 . . . . 0.0 110.064 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -84.77 84.79 7.57 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.614 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.814 -0.613 . . . . 0.0 109.517 179.041 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptp . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.9 t70 66.19 94.8 0.06 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.903 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -102.81 138.88 39.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.95 -173.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.32 -31.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.229 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -69.22 -41.42 77.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.701 0.286 . . . . 0.0 111.067 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -60.37 -34.49 73.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.364 0.602 . . . . 0.0 109.812 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.52 -43.6 72.72 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.699 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.662 HD11 HG13 ' A' ' 108' ' ' VAL . 32.5 tp -58.53 -42.72 88.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.288 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -61.27 -35.85 78.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.819 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.41 93.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.602 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.4 mm-40 -62.98 -48.01 80.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.422 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.73 -27.43 67.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.289 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -44.8 83.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.365 0.603 . . . . 0.0 109.694 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.84 -34.84 72.14 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.322 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 11' ' ' GLU . 74.7 mt -57.77 -40.26 74.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.62 0.248 . . . . 0.0 110.692 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.661 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 12.7 tmtt? -60.13 -48.16 82.9 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 21' ' ' VAL . 78.8 mt -64.26 -41.56 92.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.104 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 101' ' ' LEU . 97.3 mt -60.63 -39.26 87.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.819 0.343 . . . . 0.0 110.851 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.518 ' HG2' HD11 ' A' ' 101' ' ' LEU . 2.7 mmpt? -64.76 -35.0 79.66 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.195 0.522 . . . . 0.0 110.685 175.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.661 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 5.5 mm-40 -69.32 -47.43 64.49 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.262 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 17' ' ' ILE . 47.5 t -65.84 -38.74 82.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.4 -37.14 74.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.847 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 70.9 tttt -71.32 -51.72 22.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.696 0.76 . . . . 0.0 110.24 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.463 ' CD ' HD11 ' A' ' 36' ' ' LEU . 97.5 mttt -61.84 -23.31 66.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.21 -1.359 . . . . 0.0 112.407 -176.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.537 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -60.39 -43.97 96.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.394 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HE3' ' HB2' ' A' ' 26' ' ' LYS . 18.6 ptmt -76.37 -28.21 56.71 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.805 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.09 -37.49 82.89 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 109.955 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.31 48.03 5.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.932 -0.652 . . . . 0.0 114.506 167.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 32' ' ' GLU . 13.6 t70 -107.64 110.17 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 171.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.34 -29.38 68.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.086 -172.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -71.3 -43.65 66.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.577 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 4.1 mm-40 -62.69 -41.66 99.22 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.642 174.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 81.3 mt -58.99 -47.39 85.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.435 0.16 . . . . 0.0 111.272 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.19 91.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.185 0.517 . . . . 0.0 110.377 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -64.3 -41.19 96.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.35 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 98.2 mt -67.58 -41.93 83.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.949 177.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -60.6 -44.66 96.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -43.35 86.94 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.797 172.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.64 -45.79 90.94 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.728 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 36' ' ' LEU . 86.3 mt -60.65 -50.57 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.04 -37.58 77.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.978 0.418 . . . . 0.0 110.486 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -58.88 -46.63 87.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.462 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.42 -47.16 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.228 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.5 mm-40 -59.13 -44.95 92.05 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -59.04 -41.49 87.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.368 178.652 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -67.68 -41.55 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.912 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.522 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -61.48 -45.82 95.59 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.972 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 44' ' ' GLU . 67.6 t -56.55 -38.79 58.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.755 0.312 . . . . 0.0 110.906 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -62.81 -41.41 99.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.829 0.347 . . . . 0.0 111.008 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.48 -41.85 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.116 0.484 . . . . 0.0 110.491 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 52.7 m-85 -70.18 -37.61 75.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.395 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 52' ' ' LYS . 30.4 mmtp -60.36 -35.18 75.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.518 176.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.4 -51.24 61.69 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.646 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.44 68.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.167 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.56 84.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.707 0.289 . . . . 0.0 111.657 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -86.91 4.39 41.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.93 0.395 . . . . 0.0 110.988 -177.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -128.58 14.11 6.5 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.629 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.38 134.97 38.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.037 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -101.98 -1.65 31.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.692 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -127.08 121.03 22.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -51.92 -44.76 43.03 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.344 2.696 . . . . 0.0 113.068 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 66' ' ' VAL . 22.8 mp0 -62.94 -44.65 95.49 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.397 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -72.54 -32.24 65.94 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.714 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -61.04 -39.69 90.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.189 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -66.21 -37.71 86.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.449 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 62' ' ' GLU . 57.6 t -59.95 -45.96 94.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.408 175.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.402 HG23 ' HD2' ' A' ' 51' ' ' TYR . 72.5 mt -61.59 -43.1 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.425 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.7 -38.27 90.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.403 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -59.91 -45.83 91.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.187 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.71 -39.12 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.034 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.495 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 14.3 mt -57.24 -40.32 77.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 173.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -67.64 -44.77 77.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.883 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 19.5 m-20 -65.02 -44.82 87.93 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.091 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' O ' HG13 ' A' ' 78' ' ' ILE . 57.9 mm-40 -67.86 -42.39 81.41 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.015 -178.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.15 -44.07 87.68 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 33.8 ttmt -58.21 -41.77 84.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.012 176.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 51.1 m170 -59.24 -46.26 88.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.642 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 74' ' ' GLU . 67.6 mt -58.59 -40.12 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.204 177.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.47 -41.81 77.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.501 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -64.37 -46.45 83.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.212 0.53 . . . . 0.0 110.433 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -70.63 -31.82 68.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.354 -175.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 49.4 mtmt -68.74 -38.54 80.23 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.572 177.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.07 -32.28 68.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.01 -30.61 67.95 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 177.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.7 m 72.97 -179.23 0.21 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.195 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -56.99 -64.98 0.7 Allowed 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.165 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -111.0 109.5 19.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.94 0.4 . . . . 0.0 110.402 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -120.06 -165.27 12.85 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -62.57 121.11 12.5 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.27 88.72 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -174.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.43 -43.91 98.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.918 0.389 . . . . 0.0 111.27 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -67.43 -35.99 80.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.816 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 97' ' ' VAL . 69.6 t80 -66.81 -39.42 87.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.292 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.9 85.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.662 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.2 t -69.92 -36.29 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.059 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.36 -48.09 83.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.549 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 93' ' ' PHE . 59.8 t -63.45 -40.83 90.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.591 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.21 -45.72 87.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.67 -42.52 91.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.462 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.454 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 3.8 t-160 -61.13 -47.34 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.104 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.518 HD11 ' HG2' ' A' ' 19' ' ' LYS . 4.1 tt -57.98 -45.16 87.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.479 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.494 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 10.4 mm-40 -63.49 -36.22 83.05 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.598 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -69.06 -41.73 77.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.211 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.473 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 18.3 mm-40 -65.06 -36.27 83.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.614 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.443 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 60.2 tt0 -64.21 -44.64 91.32 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 175.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -62.53 -33.98 75.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.467 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.413 ' O ' HG13 ' A' ' 111' ' ' ILE . 61.4 m170 -62.91 -45.98 89.98 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 174.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.662 HG13 HD11 ' A' ' 8' ' ' LEU . 92.7 t -60.79 -46.03 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.373 . . . . 0.0 110.036 175.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 72.2 mm-40 -57.41 -38.14 73.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.242 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.81 -40.16 72.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.529 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 107' ' ' HIS . 70.9 mt -72.89 -35.83 50.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.348 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -59.08 -26.63 64.8 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 41.7 mmtm -115.64 179.97 3.82 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.36 0.6 . . . . 0.0 110.311 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -89.74 138.86 31.11 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.903 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.044 171.735 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.831 0.348 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -82.98 9.62 9.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.804 -174.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -63.07 -39.15 93.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.116 0.484 . . . . 0.0 109.908 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.47 -22.1 66.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.04 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -62.05 -41.83 98.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.266 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.4 -37.01 82.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.395 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.3 -50.09 75.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.102 0.477 . . . . 0.0 110.427 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.9 tp -70.43 -40.96 73.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.71 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -61.18 -36.95 81.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.4 97.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 110.263 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.09 -47.9 82.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.935 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -62.49 -38.07 88.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.01 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -61.88 -42.37 98.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.18 0.514 . . . . 0.0 110.089 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -65.2 -38.84 95.65 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.723 176.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.485 HG22 ' HE2' ' A' ' 19' ' ' LYS . 69.4 mt -60.67 -39.16 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.689 0.28 . . . . 0.0 110.728 176.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -59.08 -47.45 85.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.175 0.512 . . . . 0.0 109.746 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 21' ' ' VAL . 78.3 mt -61.61 -44.33 98.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.747 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.505 ' HB3' ' HG ' ' A' ' 101' ' ' LEU . 92.3 mt -58.49 -44.39 89.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 0.0 111.077 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' HE2' HG22 ' A' ' 15' ' ' ILE . 58.8 mtmt -66.7 -34.96 79.01 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.894 0.378 . . . . 0.0 110.802 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.93 -46.34 88.26 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.574 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.544 HG21 HD11 ' A' ' 40' ' ' ILE . 61.2 t -64.67 -40.02 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.564 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.52 -39.44 87.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.459 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 23' ' ' LYS . 14.0 tmtt? -62.38 -50.67 70.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.648 0.737 . . . . 0.0 109.568 174.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.1 -26.57 64.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.27 -1.332 . . . . 0.0 112.111 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.684 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -65.59 -25.98 67.64 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -71.87 -29.73 64.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.187 0.518 . . . . 0.0 110.388 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -92.8 -58.92 2.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.928 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.799 ' HA2' HD11 ' A' ' 33' ' ' LEU . . . 56.91 72.86 0.51 Allowed Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.389 -0.823 . . . . 0.0 114.265 173.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -87.33 -83.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.404 -0.519 . . . . 0.0 109.794 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.511 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 9.5 pt-20 -173.04 -58.95 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 175.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.511 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 15.9 mm-40 -60.49 -44.84 95.52 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -168.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.19 -42.77 88.4 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 120.729 0.299 . . . . 0.0 110.461 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.799 HD11 ' HA2' ' A' ' 28' ' ' GLY . 89.0 mt -63.51 -43.5 97.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.811 -179.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.8 81.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 35' ' ' ARG . 31.0 ttt180 -66.24 -46.42 77.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' ILE . 58.2 mt -60.92 -39.1 88.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.291 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 41' ' ' VAL . 40.1 t-20 -58.44 -48.79 79.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.143 0.497 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.407 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 15.6 mm-40 -67.78 -36.44 80.49 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.203 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.5 -42.46 99.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.462 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.544 HD11 HG21 ' A' ' 21' ' ' VAL . 93.5 mt -57.46 -49.3 80.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 176.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 37' ' ' ASN . 94.4 t -56.64 -48.79 80.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.891 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.5 -46.04 84.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.202 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.07 -48.8 74.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.883 -174.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 48' ' ' VAL . 24.2 tt0 -70.61 -39.49 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.793 -177.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.9 -38.06 86.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.915 0.388 . . . . 0.0 110.384 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -65.39 -42.25 92.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.845 175.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.414 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -60.98 -39.31 96.86 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.437 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 44' ' ' GLU . 92.3 t -56.66 -40.55 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.893 0.378 . . . . 0.0 110.605 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.02 -46.06 89.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.654 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.45 -40.17 87.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.763 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 17.8 m-85 -63.12 -43.84 97.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 176.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.55 81.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.385 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.96 -48.74 80.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.71 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . . . -72.81 -33.79 66.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.782 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.94 79.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 111.903 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.66 -16.32 57.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.835 0.35 . . . . 0.0 110.669 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 54' ' ' ALA . 52.6 mtmt -86.47 1.76 50.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.803 177.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.31 120.15 13.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -67.67 -41.47 83.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.689 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -93.67 127.18 46.9 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.526 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.15 -30.85 24.41 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.784 2.322 . . . . 0.0 113.632 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.69 -46.44 75.6 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.445 0.64 . . . . 0.0 110.741 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -72.71 -21.92 60.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -65.55 -42.16 92.18 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -38.48 80.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.367 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 70' ' ' ILE . 51.9 t -60.76 -47.06 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.444 177.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.94 -40.48 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.596 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.536 ' HA ' HD12 ' A' ' 71' ' ' LEU . 12.4 t70 -63.62 -37.61 87.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.323 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 69' ' ' LYS . 44.3 mtpt -65.62 -42.91 91.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.933 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 84.9 mt -58.56 -41.97 83.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 68' ' ' ASP . 52.2 mt -57.07 -43.17 81.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.798 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -65.31 -44.88 86.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.454 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.476 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 19.1 m-20 -61.66 -42.12 98.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.251 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 13.1 mm-40 -65.97 -39.12 90.1 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.465 177.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 28.3 mm-40 -57.45 -43.67 84.14 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.355 0.598 . . . . 0.0 110.111 173.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' NZ ' ' HA ' ' A' ' 73' ' ' ASP . 3.6 ttmp? -60.08 -38.71 83.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.909 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.8 m170 -66.4 -48.23 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.246 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.12 -38.01 58.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.385 0.612 . . . . 0.0 110.322 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.77 -40.39 96.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.117 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -61.11 -45.01 96.43 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -67.68 -29.62 68.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.874 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -62.2 -42.5 99.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.35 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 110.456 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.51 -28.0 66.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.411 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.4 m -58.58 -20.81 50.14 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.57 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -91.98 112.3 24.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.793 -0.185 . . . . 0.0 110.852 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 61.92 -162.37 0.28 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.658 0.599 . . . . 0.0 110.945 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.96 155.76 7.92 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.637 175.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -140.54 172.88 12.09 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.16 -51.95 67.6 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -172.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -62.17 -48.6 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -175.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -67.02 -34.33 77.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.646 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.41 ' O ' HG23 ' A' ' 97' ' ' VAL . 7.9 t80 -69.09 -42.63 75.91 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.684 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -60.41 -39.41 87.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.599 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 23.8 t -60.89 -45.42 94.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.341 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.59 -47.79 84.66 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.107 0.479 . . . . 0.0 110.678 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 93' ' ' PHE . 95.6 t -61.6 -41.57 90.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.956 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.04 -45.61 92.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.914 0.388 . . . . 0.0 111.103 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 95' ' ' SER . 78.1 mt-30 -66.35 -35.98 81.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.943 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 6.0 t-160 -69.67 -42.77 73.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.583 176.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.505 ' HG ' ' HB3' ' A' ' 18' ' ' LEU . 1.2 mt -57.47 -45.49 84.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.141 -177.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -60.68 -38.05 83.65 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.781 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -69.23 -40.61 77.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 0.0 110.018 -179.087 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.442 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 47.8 mm-40 -67.81 -37.53 82.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.096 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -62.52 -35.63 80.02 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.27 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 103' ' ' ASP . 38.4 ttm180 -64.67 -40.82 96.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.482 174.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.401 ' O ' HG13 ' A' ' 111' ' ' ILE . 57.6 m170 -61.01 -51.24 70.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.169 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.84 -41.92 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.382 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -56.95 -43.28 81.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.391 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.15 -50.08 37.21 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.519 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 107' ' ' HIS . 79.8 mt -62.57 -36.71 76.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 111.972 -175.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.36 -26.83 68.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -134.45 25.68 3.77 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -117.43 106.18 12.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.804 0.335 . . . . 0.0 110.58 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.5 t30 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.121 178.216 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.72 0.295 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -126.15 150.93 47.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.031 0.443 . . . . 0.0 110.094 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.31 -0.76 20.57 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.732 177.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 tt -73.01 -47.04 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.258 -173.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -44.97 95.48 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 117.004 -0.089 . . . . 0.0 111.2 -173.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.1 -43.29 99.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.74 0.305 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.7 tp -66.89 -43.14 84.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.096 0.474 . . . . 0.0 110.059 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 tp -60.27 -45.3 93.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.853 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.23 -41.94 98.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.694 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.08 92.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 110.789 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.74 -47.01 70.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.493 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.25 -28.45 69.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.497 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -61.39 -41.91 97.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.445 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.69 -41.96 98.82 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.198 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.02 -41.17 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.092 0.473 . . . . 0.0 110.365 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -59.41 -48.12 82.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.302 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 21' ' ' VAL . 82.3 mt -61.3 -45.34 98.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.942 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -58.27 -43.84 88.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.327 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 19.9 mmtp -66.22 -39.18 89.42 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.651 0.263 . . . . 0.0 111.079 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -64.38 -41.0 96.92 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.018 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.556 HG21 HD11 ' A' ' 40' ' ' ILE . 93.5 t -70.27 -42.41 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 tp -59.23 -37.2 76.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.541 . . . . 0.0 110.174 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -61.04 -50.2 74.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.031 176.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.751 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 4.9 mptp? -60.73 -32.8 72.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.809 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.68 75.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.883 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -75.27 -35.74 61.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.015 0.436 . . . . 0.0 110.188 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.54 -35.1 79.39 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.578 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.71 42.53 5.39 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.229 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.566 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.7 t0 -106.32 100.05 9.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.344 0.592 . . . . 0.0 109.653 176.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.79 -38.54 86.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.043 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -65.37 -38.02 88.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.181 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.751 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 4.7 tp10 -67.17 -42.96 83.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.432 175.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 87.0 mt -59.16 -46.15 89.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.43 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.64 83.26 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.191 0.519 . . . . 0.0 110.653 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.54 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 31.1 ttt180 -67.66 -47.17 70.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.411 176.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.544 ' O ' HG13 ' A' ' 40' ' ' ILE . 92.4 mt -60.04 -44.74 94.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.531 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -58.02 -42.42 85.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 110.565 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -43.15 98.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.683 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -66.6 -38.5 87.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.654 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.556 HD11 HG21 ' A' ' 21' ' ' VAL . 82.4 mt -59.24 -50.27 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.671 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.3 t -59.55 -49.9 81.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 42' ' ' LYS . 53.0 mtpt -59.44 -45.94 90.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 111.242 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.88 -48.61 62.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.081 -175.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 48' ' ' VAL . 24.0 tt0 -70.33 -38.16 74.85 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.762 -177.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -59.39 -37.38 77.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.856 0.36 . . . . 0.0 110.206 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -64.63 -39.62 94.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.822 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.95 -41.45 87.77 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.728 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 44' ' ' GLU . 62.5 t -62.24 -35.99 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.982 0.42 . . . . 0.0 110.582 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -58.86 -41.72 87.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.043 175.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.96 -37.8 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.456 175.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.439 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . 6.4 m-85 -58.25 -43.54 87.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 176.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.619 ' HA ' HD11 ' A' ' 71' ' ' LEU . 63.1 tttm -65.46 -43.09 91.44 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.14 -46.16 79.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.368 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.12 -36.82 64.21 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.92 87.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 15.8 pt-20 -93.87 5.51 51.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.53 0.681 . . . . 0.0 110.372 -177.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -127.7 15.39 6.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.14 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.88 141.6 38.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.906 -177.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -74.99 -29.07 60.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.615 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.711 ' HB2' ' HD3' ' A' ' 63' ' ' LYS . 93.6 m-20 -132.98 144.6 53.51 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.345 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.81 -40.74 34.16 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.767 2.311 . . . . 0.0 112.269 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -60.31 -41.5 93.61 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.237 0.541 . . . . 0.0 110.342 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.711 ' HD3' ' HB2' ' A' ' 60' ' ' ASN . 14.1 mptt -70.34 -32.34 70.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.807 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -62.47 -42.43 99.47 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.029 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -54.36 -43.25 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.322 0.389 . . . . 0.0 110.584 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 70' ' ' ILE . 61.2 t -63.54 -51.11 74.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.802 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.38 -37.2 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.156 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.91 -40.24 94.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.838 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -60.68 -45.41 94.28 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.393 173.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 66' ' ' VAL . 81.1 mt -62.49 -39.27 83.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.402 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.619 HD11 ' HA ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -56.47 -49.45 74.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.962 175.448 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.39 -41.15 93.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.155 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -63.7 -51.05 66.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HB3' HG22 ' A' ' 48' ' ' VAL . 18.5 mm-40 -63.33 -39.94 95.95 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.947 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -58.27 -36.09 72.75 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.471 0.653 . . . . 0.0 110.338 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 29.2 ttmt -70.54 -40.69 73.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.679 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 57.3 m170 -59.83 -50.21 74.7 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.46 -37.24 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.591 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.49 -41.8 98.54 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -62.87 -46.3 88.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 110.423 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -70.42 -32.52 70.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.481 -178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' HD2' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -69.94 -36.9 75.65 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.634 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.53 84.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.944 0.402 . . . . 0.0 110.664 177.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.71 -29.74 70.92 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.461 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.8 m 72.78 -80.09 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.295 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -149.31 -62.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.002 0.43 . . . . 0.0 111.229 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -88.87 133.38 34.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.781 -172.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -160.25 147.37 14.27 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -58.14 140.29 53.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.376 0.588 . . . . 0.0 110.287 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.25 -41.89 51.02 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.484 0.49 . . . . 0.0 112.232 -174.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.67 -48.82 79.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.099 0.476 . . . . 0.0 111.484 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -70.98 -38.68 72.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.611 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.65 -42.35 82.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.517 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.53 87.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.7 m -64.19 -39.16 93.41 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.416 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.54 -47.64 84.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.314 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.4 t -62.26 -40.93 89.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.09 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -62.84 -44.95 94.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.292 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -69.31 -33.37 73.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.691 0.281 . . . . 0.0 110.828 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -66.86 -41.46 87.27 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.12 -46.52 88.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.311 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -43.81 81.22 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -45.86 83.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.671 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 55.2 mm-40 -64.27 -38.4 90.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.717 -176.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -65.56 -33.16 75.27 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.146 0.498 . . . . 0.0 110.243 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -69.3 -33.65 73.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.266 177.515 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -63.67 -43.16 97.52 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -60.24 -40.63 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.762 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 106' ' ' ARG . 40.1 mt-10 -57.37 -36.21 70.93 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.119 176.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 106' ' ' ARG . 5.3 mm-40 -71.12 -48.14 53.93 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.227 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 64.2 mt -72.55 -40.44 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -173.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.85 -26.38 68.1 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -174.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -91.47 46.54 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.924 0.393 . . . . 0.0 111.715 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.565 ' C ' ' HD3' ' A' ' 114' ' ' LYS . 11.9 tmtt? -84.26 115.89 22.69 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 175.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.795 175.814 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 mtt . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.3 117.09 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.162 0.506 . . . . 0.0 111.567 -168.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.31 10.9 40.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.14 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.2 mt -117.06 -55.83 2.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.86 0.362 . . . . 0.0 111.236 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -68.03 -46.13 72.02 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.747 -176.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -67.18 -32.98 74.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.89 -46.64 77.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.858 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.84 HD11 HG13 ' A' ' 108' ' ' VAL . 26.3 tp -65.61 -40.23 92.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.406 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -57.77 -35.78 71.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.734 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.5 92.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.879 0.371 . . . . 0.0 110.733 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.76 -45.29 83.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.487 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.25 -29.38 70.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.946 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.694 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.39 -44.23 95.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.498 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -68.1 -41.3 87.32 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.897 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.94 -40.69 81.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 110.51 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.694 ' HE3' ' HA ' ' A' ' 13' ' ' GLN . 28.5 mtmt -58.91 -46.91 86.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.578 175.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.558 HD13 ' HG3' ' A' ' 39' ' ' GLU . 86.0 mt -64.13 -44.06 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.595 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -59.23 -47.1 86.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.608 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.681 ' HG2' HD11 ' A' ' 101' ' ' LEU . 90.4 mttt -66.74 -35.05 79.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.652 0.263 . . . . 0.0 110.957 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.54 -47.08 80.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 17' ' ' ILE . 87.2 t -64.4 -39.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 177.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 tp -59.52 -36.0 75.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.23 0.538 . . . . 0.0 110.359 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -66.45 -49.37 66.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.818 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -59.27 -23.37 62.34 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.939 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.76 -26.27 68.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.189 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -73.48 -35.79 65.71 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.457 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.18 -47.11 59.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.819 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.62 56.9 4.03 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 114.025 171.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 16.5 t70 -101.16 119.14 38.32 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 171.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.87 -44.04 94.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -171.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -71.49 -41.62 69.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.324 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 8.5 tp10 -65.78 -41.43 92.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 64.8 mt -60.18 -43.14 96.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 111.167 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 37' ' ' ASN . . . -67.16 -35.65 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.36 0.6 . . . . 0.0 110.508 178.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.415 HH21 ' CD ' ' A' ' 32' ' ' GLU . 22.4 ttp180 -69.2 -39.42 78.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.57 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 92.2 mt -63.58 -33.44 75.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.761 175.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 34' ' ' ALA . 8.7 t30 -56.33 -43.45 79.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.629 176.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -41.36 83.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.771 176.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.558 ' HG3' HD13 ' A' ' 17' ' ' ILE . 9.4 tp10 -62.34 -41.09 98.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.673 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.7 mt -61.89 -50.32 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.694 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.64 -37.17 78.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.401 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -57.62 -46.9 83.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.644 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.79 -44.76 72.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.5 mm-40 -58.86 -46.51 87.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.47 -38.7 92.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.769 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.36 -40.68 93.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.168 0.508 . . . . 0.0 109.737 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.449 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -60.74 -46.96 93.45 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.21 176.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 44' ' ' GLU . 89.5 t -59.97 -40.3 82.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.982 0.42 . . . . 0.0 110.532 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -54.83 -47.68 73.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.505 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.0 t -72.28 -42.35 65.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.325 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.449 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 12.5 m-85 -61.33 -36.28 79.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.416 0.151 . . . . 0.0 111.219 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -59.87 -45.64 91.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.22 0.533 . . . . 0.0 109.831 174.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -63.27 -43.71 97.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.956 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.15 90.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.6 -37.68 87.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.936 0.398 . . . . 0.0 111.049 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -80.37 -20.12 44.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.601 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 43.5 mttm -78.16 -39.22 41.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.791 173.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.81 108.77 0.34 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.269 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 51.0 mtp85 -89.43 12.34 16.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.072 -176.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -139.62 126.32 12.46 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 174.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -60.32 -26.68 83.25 Favored 'Trans proline' 0 N--CA 1.473 0.323 0 C-N-CA 123.484 2.789 . . . . 0.0 114.692 -169.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -60.89 -47.74 85.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 111.5 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.527 ' HG2' ' ND2' ' A' ' 115' ' ' ASN . 56.8 mtmt -77.63 -26.7 50.72 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.457 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -66.42 -36.9 83.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.15 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.08 -39.54 94.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.196 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.65 -42.96 96.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.038 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 63' ' ' LYS . 87.0 mt -62.32 -45.02 99.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.037 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.09 -41.3 96.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.223 0.535 . . . . 0.0 110.519 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.37 -45.56 88.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.504 176.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.445 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 78.3 mt -68.05 -39.11 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.765 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.69 -45.52 81.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.019 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 27.9 tt0 -63.41 -45.09 92.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.478 177.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -66.11 -38.77 89.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.656 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 35.1 mm-40 -68.1 -43.21 78.96 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.415 177.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 10.6 mm-40 -61.02 -35.08 75.92 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.698 0.761 . . . . 0.0 110.275 173.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 28.0 ttmt -63.68 -43.08 97.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.949 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -60.77 -46.05 91.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.356 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.537 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 68.2 mt -58.59 -41.73 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.372 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.44 -41.91 90.71 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.311 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -61.01 -44.97 96.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.311 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -68.05 -34.03 75.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.16 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 78' ' ' ILE . 33.9 mmtp -60.07 -50.85 72.07 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.947 0.403 . . . . 0.0 110.335 176.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.19 80.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.42 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.49 -34.88 72.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.5 m -71.7 -9.56 58.45 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.806 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.676 ' HA ' ' HE2' ' A' ' 86' ' ' LYS . 10.8 mmpt? -79.84 -65.75 0.96 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.756 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -143.5 101.89 3.85 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.331 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -179.58 96.47 0.1 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.152 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -95.44 105.65 17.64 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.811 -0.229 . . . . 0.0 110.957 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 71.89 -57.46 0.61 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.154 0.909 . . . . 0.0 113.22 173.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -60.67 -50.37 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.993 0.425 . . . . 0.0 111.581 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -67.41 -34.11 76.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.687 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -72.29 -44.01 63.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.966 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.69 88.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.026 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 m -70.69 -40.8 72.67 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.63 -47.93 84.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.164 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.46 -41.79 93.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.203 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.77 -45.68 85.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.967 -177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.68 -44.4 86.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -58.86 -38.45 78.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.966 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 19' ' ' LYS . 4.5 tt -59.52 -48.43 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.124 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -64.56 -40.04 94.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.229 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.88 -49.44 77.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.371 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -63.9 -38.24 90.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.99 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -62.07 -32.81 73.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.348 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.604 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 1.7 tpm_? -67.45 -40.53 85.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.329 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -60.37 -49.01 79.3 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.14 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.84 HG13 HD11 ' A' ' 8' ' ' LEU . 95.3 t -58.45 -43.63 87.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.435 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.19 -42.89 82.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.277 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -60.7 -46.14 91.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.029 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.7 -46.38 94.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.465 -178.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.71 -26.66 67.12 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.678 -177.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.428 ' HB2' ' HZ2' ' A' ' 113' ' ' LYS . 9.6 mtmp? -83.75 34.9 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.649 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 70.99 1.72 3.92 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.433 0.693 . . . . 0.0 111.587 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.527 ' ND2' ' HG2' ' A' ' 63' ' ' LYS . 54.0 t30 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.356 -176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtm . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 121.049 0.452 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.566 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 4.6 p-10 -139.5 147.95 41.99 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -69.65 -12.56 61.73 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -169.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.0 tp -89.17 -54.34 4.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.869 0.366 . . . . 0.0 110.573 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.545 ' HB2' ' OD1' ' A' ' 2' ' ' ASP . 0.6 OUTLIER -63.64 -45.75 88.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.735 -176.367 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.629 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 11.5 mm-40 -63.68 -38.48 91.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.992 0.425 . . . . 0.0 110.356 -176.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 51' ' ' TYR . 22.3 tp -69.89 -49.45 52.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.597 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.2 tp -63.3 -45.6 90.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.476 -175.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.629 ' HE3' ' HA ' ' A' ' 6' ' ' GLU . 17.7 ptpt -62.4 -35.26 78.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.704 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.65 81.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.361 . . . . 0.0 110.744 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.95 -46.73 83.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.437 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.89 -30.37 71.37 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.383 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -63.46 -43.87 96.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.088 0.47 . . . . 0.0 110.608 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.525 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -64.35 -40.76 98.11 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.968 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.91 -43.36 88.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.931 0.396 . . . . 0.0 110.544 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -59.91 -45.3 92.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.972 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.5 mt -61.69 -45.08 99.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.966 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.9 mt -60.52 -42.18 95.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.294 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HG2' HD11 ' A' ' 101' ' ' LEU . 60.8 mtpt -62.92 -41.0 99.3 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.564 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.559 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -61.85 -49.23 77.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.59 178.051 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 36' ' ' LEU . 73.9 t -66.71 -40.01 85.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.245 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.97 -41.4 91.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.379 0.609 . . . . 0.0 110.203 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 22.6 ttpt -60.93 -50.28 74.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.982 0.896 . . . . 0.0 110.206 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 44.2 mtpt -71.53 -23.74 61.82 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.061 -175.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -70.19 -25.77 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.249 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 47.7 mtmt -64.97 -29.58 70.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.992 0.425 . . . . 0.0 110.671 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -78.39 -46.71 19.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.038 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.65 49.29 3.67 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.88 172.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 10.1 t70 -91.66 120.51 32.49 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 171.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.31 -50.68 69.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.375 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -64.27 -37.98 89.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.8 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 29' ' ' ASP . 9.9 tp10 -61.03 -48.94 79.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.427 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.464 HD21 ' HA ' ' A' ' 25' ' ' ALA . 83.1 mt -62.08 -41.29 98.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.103 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.71 76.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.243 0.544 . . . . 0.0 110.577 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -68.93 -47.42 65.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.871 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.471 HD13 HG22 ' A' ' 21' ' ' VAL . 97.0 mt -65.14 -35.14 80.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.302 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 41' ' ' VAL . 36.5 t-20 -55.32 -43.94 75.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.302 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -63.86 -38.74 92.22 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.411 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.99 -39.45 75.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.419 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.407 HD11 HG21 ' A' ' 21' ' ' VAL . 68.8 mt -62.35 -47.64 92.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.623 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 37' ' ' ASN . 95.1 t -59.32 -46.05 92.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.929 -178.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.19 -39.77 93.31 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.957 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.67 -47.42 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.591 0.234 . . . . 0.0 111.087 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 48' ' ' VAL . 10.2 mm-40 -63.37 -44.98 93.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -58.74 -44.61 90.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.962 0.41 . . . . 0.0 110.727 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.482 ' O ' HG23 ' A' ' 50' ' ' VAL . 54.5 tp60 -66.22 -47.0 75.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.321 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.65 -45.95 94.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.499 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 44' ' ' GLU . 69.0 t -60.24 -38.95 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.711 0.291 . . . . 0.0 110.825 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.642 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 62.0 tttm -61.58 -46.47 89.73 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 46' ' ' GLN . 77.0 t -59.87 -41.52 86.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 123.246 0.341 . . . . 0.0 110.989 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.446 ' CD1' HD11 ' A' ' 7' ' ' LEU . 30.5 m-85 -58.4 -46.16 86.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.791 0.329 . . . . 0.0 110.42 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -67.98 -33.95 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.974 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 58.7 mm-40 -58.47 -50.14 74.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.154 0.502 . . . . 0.0 109.933 175.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.24 -33.74 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.568 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.46 78.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.677 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -79.97 -8.13 59.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.2 0.524 . . . . 0.0 111.028 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -113.41 7.46 17.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.124 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.14 137.28 53.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.496 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.453 ' N ' ' HD3' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -95.08 -20.65 19.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.146 -178.556 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 4.4 t-20 -115.38 113.47 43.21 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.123 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 11.4 Cg_endo -55.68 -33.76 88.43 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.103 2.535 . . . . 0.0 112.711 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.3 mp0 -62.77 -44.67 95.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 178.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.5 -29.26 61.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.55 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -63.73 -37.77 88.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.907 177.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -66.14 -39.3 89.74 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.606 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 62' ' ' GLU . 64.0 t -59.85 -45.54 94.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.99 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.406 HG23 ' HD1' ' A' ' 51' ' ' TYR . 82.3 mt -60.94 -44.55 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.342 176.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.19 -42.9 96.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.082 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -59.39 -45.92 90.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.435 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.76 -39.25 84.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.181 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.99 -41.35 82.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.803 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.77 -45.87 88.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.587 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -67.84 -39.77 83.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.175 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 78' ' ' ILE . 16.0 mm-40 -65.93 -41.52 91.24 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.25 176.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 39.2 mm-40 -57.57 -41.83 81.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.637 0.732 . . . . 0.0 109.958 172.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.443 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 28.0 ttmt -60.84 -45.62 93.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.321 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 48.1 m170 -60.84 -42.17 97.26 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.427 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.9 mt -59.4 -45.93 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.551 177.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.8 -41.16 99.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.059 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -59.84 -45.33 92.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.955 0.407 . . . . 0.0 110.195 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -69.48 -30.0 67.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.621 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -59.57 -47.49 85.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.711 0.291 . . . . 0.0 110.894 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.32 -35.61 68.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.934 0.397 . . . . 0.0 111.521 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.6 -30.5 65.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -175.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.2 p -74.32 74.9 1.86 Allowed 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -171.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 18.3 tttp -175.63 97.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.234 173.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 86' ' ' LYS . 2.8 mp0 69.84 120.23 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.785 0.678 . . . . 0.0 110.431 -172.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.43 103.23 2.41 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.733 -0.746 . . . . 0.0 113.264 -170.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -81.4 115.63 20.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.69 -47.32 67.31 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -172.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -61.87 -47.63 84.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.855 0.359 . . . . 0.0 111.068 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -71.49 -39.45 70.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.269 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -64.25 -43.9 93.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.931 0.396 . . . . 0.0 110.183 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.13 87.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.66 177.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.0 m -65.84 -41.05 92.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.706 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.0 -47.92 81.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.458 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.3 t -66.17 -38.42 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.064 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.46 -46.47 89.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.898 0.38 . . . . 0.0 110.832 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -38.35 77.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.453 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.415 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 22.5 t-160 -62.64 -43.59 98.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.322 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.3 tt -57.44 -49.23 76.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.423 -178.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -61.46 -36.77 81.33 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.731 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.514 ' HA ' ' HD3' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -67.79 -39.62 84.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.867 0.365 . . . . 0.0 110.769 -179.477 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.463 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 38.9 mm-40 -66.87 -32.36 73.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.02 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 95.9 mt-30 -60.61 -40.95 93.73 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.087 175.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.514 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 61.7 mtp180 -62.43 -34.46 76.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.93 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' HG13 ' A' ' 111' ' ' ILE . 57.0 m170 -65.52 -46.44 79.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.62 -41.68 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.939 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 44.7 mm-40 -56.56 -44.28 80.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.711 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -67.58 -39.17 84.87 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.814 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 107' ' ' HIS . 80.3 mt -66.0 -47.55 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.651 0.262 . . . . 0.0 111.179 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.72 -32.06 70.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 111.431 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.513 ' HB2' ' HZ2' ' A' ' 113' ' ' LYS . 10.6 mtmp? -94.32 13.55 23.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.711 -176.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.827 ' HE2' ' HA ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -125.16 101.23 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.394 0.616 . . . . 0.0 111.512 -179.097 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.021 -0.99 . . . . 0.0 108.969 171.77 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.034 0.445 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -110.64 165.36 11.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.415 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -58.92 -64.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.469 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.7 tp 68.57 -47.76 0.55 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.643 0.777 . . . . 0.0 112.165 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -60.41 -44.94 95.23 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 122.482 0.313 . . . . 0.0 111.552 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.62 -32.05 73.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.948 0.404 . . . . 0.0 110.784 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.1 tp -67.94 -43.74 78.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.795 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 108' ' ' VAL . 50.5 tp -59.78 -46.92 87.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.269 176.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 47.5 mtpt -57.77 -35.67 71.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.454 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.75 92.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.73 0.3 . . . . 0.0 110.763 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -64.17 -44.82 90.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.557 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 96.4 mt-30 -59.69 -42.11 92.26 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.484 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 17' ' ' ILE . 28.5 tt0 -63.15 -42.41 99.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.496 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.518 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.02 -42.84 99.54 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.971 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.28 -41.58 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 110.297 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -55.37 -47.51 75.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.374 0.607 . . . . 0.0 109.923 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 21' ' ' VAL . 82.9 mt -60.59 -47.23 93.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.959 177.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.588 HD22 HG13 ' A' ' 97' ' ' VAL . 94.8 mt -58.42 -39.58 80.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -62.62 -45.69 91.69 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.231 0.539 . . . . 0.0 110.534 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -43.48 98.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.704 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' ' 36' ' ' LEU . 58.0 t -67.81 -43.53 86.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.173 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.38 -37.09 79.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 110.321 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.19 -51.43 53.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.977 176.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -66.73 -22.4 66.06 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.692 -1.14 . . . . 0.0 112.808 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -26.18 66.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.984 0.421 . . . . 0.0 110.665 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HE3' ' HB3' ' A' ' 26' ' ' LYS . 29.6 mmmt -70.6 -28.56 64.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.087 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.8 -37.28 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.287 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.95 24.43 57.88 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.721 173.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.8 t70 -94.02 123.69 37.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.102 0.451 . . . . 0.0 110.328 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.03 -38.42 79.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.547 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -62.88 -44.55 95.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.569 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.4 tp10 -60.64 -47.58 85.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.407 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 96.8 mt -62.05 -40.28 95.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.31 -34.19 77.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.128 0.49 . . . . 0.0 110.6 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -45.72 71.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.666 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.592 ' HB3' HG22 ' A' ' 21' ' ' VAL . 82.8 mt -62.86 -43.2 99.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.031 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -56.83 -46.34 81.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.509 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -41.37 79.57 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.924 176.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.66 -41.31 83.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.743 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 21' ' ' VAL . 74.3 mt -61.66 -50.23 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.696 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.04 -37.31 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.184 0.516 . . . . 0.0 110.282 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -62.79 -46.85 86.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.188 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.22 73.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.315 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 48' ' ' VAL . 13.8 mm-40 -59.45 -45.67 90.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.55 -39.68 95.03 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.75 0.31 . . . . 0.0 110.657 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -61.73 -45.66 92.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.857 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.481 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -58.93 -39.55 94.21 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.235 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 44' ' ' GLU . 53.2 t -55.92 -41.83 68.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.667 0.27 . . . . 0.0 111.259 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 82.4 tttt -65.68 -39.41 91.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.84 -38.21 82.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.513 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.86 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 45.7 m-85 -66.58 -36.73 83.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 175.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 55.6 tttp -57.47 -47.23 82.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.145 0.498 . . . . 0.0 110.029 173.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.53 -49.58 75.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.256 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.87 -34.37 76.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.758 -177.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.44 -37.81 83.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.817 0.341 . . . . 0.0 111.34 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 70.6 mt-10 -82.96 -32.59 27.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.2 0.524 . . . . 0.0 110.176 -178.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -89.53 12.21 17.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.859 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.56 104.75 4.63 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.565 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -70.17 -42.51 72.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.686 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 18.2 t-20 -91.59 121.81 66.73 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.202 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -64.4 -31.78 61.46 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.141 2.561 . . . . 0.0 113.481 -175.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 11.8 mp0 -63.2 -43.72 97.37 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.94 0.4 . . . . 0.0 110.548 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.49 -33.92 77.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.344 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -60.71 -43.58 97.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -66.03 -40.69 91.25 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.733 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 70' ' ' ILE . 62.1 t -59.68 -46.65 93.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.024 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.458 HG23 ' HD1' ' A' ' 51' ' ' TYR . 78.2 mt -63.77 -41.13 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.855 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.85 -43.82 97.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.18 -44.96 95.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.954 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 66' ' ' VAL . 62.1 mt -64.97 -36.15 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.883 0.373 . . . . 0.0 110.26 178.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.86 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -55.31 -40.51 71.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.883 174.331 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.82 -45.12 79.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.834 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.653 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 68.8 m-20 -57.56 -45.95 84.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.713 -178.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -69.29 -41.31 76.98 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.308 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -59.84 -41.47 91.46 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.653 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 14.5 ttmm -57.63 -41.02 80.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.629 177.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -63.47 -35.46 80.54 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.772 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.08 -45.38 94.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.932 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 21.3 mm-40 -59.58 -39.8 85.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.694 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.541 ' HB3' HD11 ' A' ' 96' ' ' LEU . 52.2 m0 -59.98 -44.78 94.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.989 0.423 . . . . 0.0 110.02 175.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 25.2 m80 -69.64 -28.55 66.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.732 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 82' ' ' LYS . 5.2 mmmm -57.69 -46.02 84.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.993 0.425 . . . . 0.0 109.911 174.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.4 -32.44 66.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.251 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 81' ' ' HIS . . . -70.89 -30.65 67.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.898 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.5 t -64.01 115.04 4.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.272 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.2 tttp 73.9 -51.73 0.69 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.681 0.792 . . . . 0.0 112.276 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -82.29 7.26 14.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.589 0.233 . . . . 0.0 111.576 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.64 116.94 4.85 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.427 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -71.88 157.45 37.84 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.28 -34.91 66.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.17 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -61.35 -48.75 79.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.342 0.591 . . . . 0.0 110.58 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -66.93 -42.1 85.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.895 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -63.27 -42.95 99.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.569 -175.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.01 -39.61 95.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.601 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 t -67.9 -36.7 80.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.159 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 80' ' ' TRP . 51.5 tp -66.07 -46.79 76.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.657 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.588 HG13 HD22 ' A' ' 18' ' ' LEU . 71.0 t -61.51 -37.6 78.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.767 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.22 -40.94 98.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.705 176.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -67.06 -45.57 76.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.517 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 17.6 t-160 -60.17 -36.45 77.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.815 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.3 -49.49 76.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.297 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.48 -43.53 93.86 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 120.78 0.324 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -51.26 67.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.179 177.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.541 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 10.6 mm-40 -70.59 -36.01 73.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.573 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 48.3 mt-30 -60.45 -42.58 96.44 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.829 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -64.2 -39.57 94.27 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.986 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.42 ' O ' HG13 ' A' ' 111' ' ' ILE . 53.1 m170 -58.97 -44.86 91.61 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.612 HG13 HD11 ' A' ' 8' ' ' LEU . 68.0 t -62.97 -42.33 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.335 175.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 5.2 mm-40 -57.25 -45.08 84.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.198 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -40.57 78.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.2 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 107' ' ' HIS . 81.2 mt -66.06 -41.12 88.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.218 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -68.23 -25.65 65.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.919 0.39 . . . . 0.0 111.397 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.446 ' HB3' ' H ' ' A' ' 114' ' ' LYS . 20.9 mmmt -76.54 -145.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.573 175.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.446 ' H ' ' HB3' ' A' ' 113' ' ' LYS . 8.5 tmtm? -146.71 -50.15 0.2 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 C--O 1.248 0.992 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.665 169.616 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -66.68 113.19 4.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.613 0.721 . . . . 0.0 109.757 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -98.72 102.86 14.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.952 -170.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -128.24 -8.13 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -174.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.452 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 36.7 mmt180 -64.48 -36.65 84.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.05 -39.83 65.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 110.906 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.87 -38.98 83.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.292 0.568 . . . . 0.0 110.179 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.53 HD11 HG13 ' A' ' 108' ' ' VAL . 26.0 tp -60.88 -40.5 93.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.916 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 5' ' ' ARG . 92.4 mttt -58.66 -35.96 73.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.601 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.35 85.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.609 0.242 . . . . 0.0 110.933 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.0 -42.81 99.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.163 0.506 . . . . 0.0 110.085 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.395 175.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -62.28 -40.01 94.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.426 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.417 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -65.58 -41.29 96.18 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.328 175.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.489 HG23 HD11 ' A' ' 101' ' ' LEU . 79.4 mt -59.04 -40.52 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.828 0.347 . . . . 0.0 110.392 175.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -60.17 -42.7 95.54 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 21' ' ' VAL . 76.2 mt -66.33 -46.03 88.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.549 176.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -59.74 -38.45 81.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.877 178.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -64.0 -42.88 97.03 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.07 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -45.5 91.56 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.472 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.574 HG22 ' HB3' ' A' ' 36' ' ' LEU . 42.8 t -66.7 -39.45 83.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.896 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.08 -36.12 82.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.561 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -64.83 -52.12 58.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.847 0.832 . . . . 0.0 109.875 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' CD ' HD11 ' A' ' 36' ' ' LEU . 49.9 mttp -66.77 -21.7 66.05 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.204 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.04 -33.79 69.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.069 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -68.11 -28.29 67.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.96 0.409 . . . . 0.0 110.819 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.56 -43.49 38.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.8 26.56 71.01 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.46 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.475 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 14.8 t70 -72.81 120.82 18.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.997 0.427 . . . . 0.0 110.494 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -62.37 -41.11 98.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.591 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -68.67 -44.44 74.06 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.384 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -62.31 -49.2 76.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.868 178.36 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.48 HD23 HD12 ' A' ' 36' ' ' LEU . 84.9 mt -60.48 -37.12 80.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.575 -176.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.62 99.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -68.24 -44.11 76.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.49 . . . . 0.0 110.192 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.574 ' HB3' HG22 ' A' ' 21' ' ' VAL . 94.7 mt -58.26 -44.64 88.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.611 -178.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -57.93 -47.72 82.06 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -39.67 92.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.042 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.99 -41.16 95.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 21' ' ' VAL . 80.5 mt -60.01 -50.31 80.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.532 HG13 HG23 ' A' ' 78' ' ' ILE . 76.5 t -58.55 -43.95 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.719 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -62.98 -39.93 96.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.5 -47.81 71.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.8 mm-40 -60.07 -42.39 94.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.342 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -58.84 -44.62 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.791 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -66.28 -42.61 88.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.265 0.555 . . . . 0.0 110.158 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -41.64 98.12 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.091 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.498 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 44.7 t -57.1 -44.4 83.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 C-N-CA 122.33 0.252 . . . . 0.0 111.124 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HE3' ' HG2' ' A' ' 53' ' ' GLU . 2.8 tptt -56.17 -47.87 77.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.04 -38.66 81.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.613 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 3.0 m-85 -61.13 -43.3 99.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.664 175.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 73.2 mmtt -56.9 -43.89 81.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 177.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.559 ' HG2' ' HE3' ' A' ' 49' ' ' LYS . 53.8 mm-40 -68.28 -48.55 64.69 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.026 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.58 -33.68 71.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.843 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.49 -38.61 69.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.582 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -88.92 -9.68 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 0.0 110.996 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.802 ' HE2' ' HA ' ' A' ' 57' ' ' LYS . 10.2 mmpt? -79.22 -18.9 52.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.253 0.549 . . . . 0.0 109.786 174.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.15 105.71 3.02 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.849 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -69.28 -29.99 67.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.631 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 97.3 m-20 -98.11 130.34 28.79 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.593 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 32.0 Cg_exo -59.34 -34.53 97.71 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.301 2.667 . . . . 0.0 112.797 -177.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.06 -42.57 84.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.213 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.52 -37.82 88.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.123 0.487 . . . . 0.0 110.031 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -64.0 -37.02 85.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.719 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.7 -44.52 96.78 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.443 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 70' ' ' ILE . 57.2 t -61.46 -48.56 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.456 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.18 -45.19 99.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.021 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.18 -46.0 89.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.074 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' A' ' 69' ' ' LYS . 21.6 mtpp -59.98 -46.66 88.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.628 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 66' ' ' VAL . 68.7 mt -61.26 -39.93 84.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.189 0.518 . . . . 0.0 110.1 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.63 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 2.1 mt -57.33 -45.45 84.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.984 176.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.58 -43.32 99.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.016 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.16 -43.04 96.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.424 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.25 -37.97 89.39 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.515 0.198 . . . . 0.0 110.544 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 61.3 mm-40 -57.44 -40.98 79.59 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.378 0.609 . . . . 0.0 109.96 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -69.46 -38.17 77.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.451 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -57.07 -50.39 72.92 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.204 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.583 HG22 ' HE3' ' A' ' 82' ' ' LYS . 56.4 mt -60.39 -39.17 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.663 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.58 -40.98 96.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.078 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -59.97 -44.87 94.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.031 0.444 . . . . 0.0 110.742 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -69.38 -30.56 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.65 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.583 ' HE3' HG22 ' A' ' 78' ' ' ILE . 97.3 mttt -59.62 -47.47 85.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 0.0 110.23 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.91 95.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.999 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.44 -30.19 69.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.115 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.3 t -74.7 -4.55 38.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.19 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 51.1 mtpt -98.85 -55.64 2.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -147.21 102.43 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.304 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -165.55 144.13 9.0 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.954 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -103.74 -179.02 3.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.757 0.313 . . . . 0.0 110.374 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.58 80.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.804 -173.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.45 -48.47 80.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.795 0.331 . . . . 0.0 111.707 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -70.17 -37.03 75.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.923 0.392 . . . . 0.0 110.663 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 97' ' ' VAL . 58.0 t80 -63.76 -46.57 84.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.129 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.08 -35.67 75.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.993 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.8 t -70.35 -38.35 74.8 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.44 -47.48 83.87 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.475 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 93' ' ' PHE . 89.6 t -57.85 -43.87 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 52.6 tt0 -63.83 -43.25 96.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.974 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.51 -44.18 96.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.967 0.413 . . . . 0.0 110.494 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -60.16 -43.28 95.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.928 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 52.0 tp -57.57 -43.08 84.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.338 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 18.2 mm-40 -57.42 -43.42 83.77 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.553 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -69.09 -47.19 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.511 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -60.58 -33.1 72.22 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.95 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 24.3 mt-30 -60.97 -49.55 77.01 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.105 0.479 . . . . 0.0 110.381 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 106' ' ' ARG . 3.0 mpt_? -67.11 -31.42 71.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.666 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -56.96 -50.8 71.54 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 173.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.607 ' O ' ' HB2' ' A' ' 112' ' ' GLU . 92.5 t -60.23 -46.13 95.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.415 178.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.73 -35.3 74.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.262 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -71.85 -49.35 39.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.496 ' HB ' HD13 ' A' ' 8' ' ' LEU . 64.8 mt -71.18 -35.31 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.715 -175.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 108' ' ' VAL . 1.8 tm-20 -55.18 -27.26 44.51 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 123.411 0.684 . . . . 0.0 112.453 -176.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -87.67 -103.68 0.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.953 0.406 . . . . 0.0 111.697 -174.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -147.93 -55.92 0.22 Allowed 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.043 -176.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.164 -176.486 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.403 ' HB3' ' HG3' ' A' ' 6' ' ' GLU . 11.4 t70 -102.79 90.59 3.85 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 172.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -76.22 49.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.287 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.4 tp -151.82 -63.86 0.18 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.141 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -72.88 -44.0 61.84 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.681 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' HG3' ' HB3' ' A' ' 2' ' ' ASP . 44.0 mt-10 -61.78 -40.13 94.1 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.08 0.467 . . . . 0.0 110.283 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' HG ' ' CZ ' ' A' ' 51' ' ' TYR . 7.7 tp -69.89 -49.65 50.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.719 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.677 HD11 HG13 ' A' ' 108' ' ' VAL . 24.1 tp -64.63 -46.61 81.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.474 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 8.7 mtpm? -59.28 -34.19 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.944 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.49 84.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.992 0.425 . . . . 0.0 110.643 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.0 mm-40 -70.4 -45.33 66.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.66 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -60.08 -34.22 73.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.322 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -61.17 -44.13 97.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.027 0.441 . . . . 0.0 109.941 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.605 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -71.18 -40.18 61.73 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.946 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 11' ' ' GLU . 67.9 mt -58.35 -43.52 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.758 0.314 . . . . 0.0 110.766 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -59.16 -45.77 90.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.648 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 21' ' ' VAL . 87.7 mt -64.5 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.062 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 91.4 mt -63.78 -39.37 94.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.909 0.385 . . . . 0.0 110.569 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -66.58 -37.67 85.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.436 174.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 17' ' ' ILE . 41.7 mm-40 -59.68 -48.0 83.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.879 176.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 17' ' ' ILE . 59.8 t -64.52 -42.71 95.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.68 -37.63 87.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.103 0.478 . . . . 0.0 110.735 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -70.17 -51.35 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.906 0.86 . . . . 0.0 109.85 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HD3' ' CG ' ' A' ' 32' ' ' GLU . 67.3 mttm -64.14 -21.68 66.64 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.257 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.51 -25.97 68.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.673 0.273 . . . . 0.0 110.745 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.747 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 11.2 mmpt? -71.72 -29.48 64.59 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.172 0.51 . . . . 0.0 109.831 176.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.9 -46.36 45.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.513 174.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.04 63.71 3.05 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.353 -0.839 . . . . 0.0 113.5 172.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.446 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.8 t70 -123.9 133.79 53.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.604 -0.351 . . . . 0.0 110.558 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.21 -39.25 89.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.629 -176.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -66.61 -45.08 80.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.453 0.644 . . . . 0.0 109.58 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.4 tp10 -60.3 -49.54 77.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.606 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 91.8 mt -63.59 -38.21 90.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.18 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.96 99.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.59 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -65.61 -40.14 92.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.956 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 21' ' ' VAL . 90.5 mt -64.13 -41.39 97.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.777 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -58.11 -45.73 86.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -59.13 -42.07 89.77 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.815 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' HG3' HD13 ' A' ' 17' ' ' ILE . 9.2 tp10 -64.76 -39.89 94.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.702 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 36' ' ' LEU . 82.1 mt -61.26 -50.66 79.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-O 120.96 0.41 . . . . 0.0 110.777 177.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.66 -42.73 95.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.804 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -64.28 -47.91 77.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.511 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.88 -49.85 41.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.584 ' O ' HG23 ' A' ' 48' ' ' VAL . 14.6 tt0 -70.73 -42.92 69.9 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.359 -172.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.483 ' HE3' HD13 ' A' ' 78' ' ' ILE . 22.0 ttmt -60.91 -36.87 80.4 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.714 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -61.3 -46.09 91.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.14 -37.01 94.23 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.572 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 44' ' ' GLU . 88.8 t -56.93 -41.53 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 tmtt? -65.14 -45.59 84.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.24 -43.1 92.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.477 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' CZ ' ' HG ' ' A' ' 7' ' ' LEU . 9.3 m-85 -61.68 -43.18 99.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 176.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -63.41 -40.6 97.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.161 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 19.4 mm-40 -62.1 -45.5 93.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.833 175.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.05 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.487 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.13 -41.43 83.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 0.0 110.82 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.72 -0.13 49.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.736 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -109.4 -16.22 14.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.597 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.4 -20.99 59.85 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.23 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 70.61 -70.53 0.15 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.448 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.474 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 48.5 t30 -66.52 123.26 85.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.768 -175.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 9.1 Cg_endo -51.27 -25.82 18.82 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 124.026 3.151 . . . . 0.0 113.704 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 66' ' ' VAL . 26.0 tt0 -64.29 -46.0 85.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.269 0.556 . . . . 0.0 110.6 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.85 -31.19 63.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.429 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -62.79 -43.01 99.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.289 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -67.35 -37.12 82.74 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 62' ' ' GLU . 89.2 t -60.25 -47.54 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 110.129 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 51' ' ' TYR . 71.6 mt -68.0 -38.55 80.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.485 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.63 -44.89 85.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.429 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -60.09 -44.81 94.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.073 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.653 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 62.1 mt -63.79 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.074 0.464 . . . . 0.0 109.896 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.97 -50.15 73.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.713 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.634 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 11.9 tt0 -57.31 -44.93 84.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.457 0.473 . . . . 0.0 111.149 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -69.09 -37.02 78.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.695 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 21.9 mm-40 -67.78 -38.39 83.3 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.261 177.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.634 ' OE1' ' HA ' ' A' ' 72' ' ' GLU . 3.0 mt-10 -57.3 -40.81 78.64 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.741 0.781 . . . . 0.0 109.724 171.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.517 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 28.3 ttmt -68.76 -40.05 79.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.217 -177.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -61.73 -39.42 91.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.483 HD13 ' HE3' ' A' ' 45' ' ' LYS . 69.4 mt -64.15 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.367 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 46.4 mt-10 -59.69 -41.19 90.16 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.985 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -63.5 -45.29 91.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.997 0.427 . . . . 0.0 111.066 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -67.98 -29.62 68.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.896 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 90.4 mttt -59.41 -42.68 92.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.902 0.382 . . . . 0.0 110.334 175.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.21 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.771 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.09 -31.07 68.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.245 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m -71.7 -27.61 63.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.233 0.539 . . . . 0.0 110.82 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -86.09 75.65 9.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.375 -176.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 54.73 93.67 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.307 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.67 -167.37 10.96 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.557 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -111.29 147.37 35.22 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.43 -39.92 92.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.216 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -40.93 96.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.212 0.53 . . . . 0.0 110.136 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -68.4 -38.7 81.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.627 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -64.83 -45.45 86.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.159 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.27 90.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.704 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 62.5 m -64.13 -37.89 89.09 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.998 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.88 -47.12 72.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.1 0.476 . . . . 0.0 110.451 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.546 HG21 HG11 ' A' ' 21' ' ' VAL . 70.7 t -61.0 -39.42 82.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.186 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -59.91 -44.41 94.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 0.0 110.561 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -67.33 -40.78 85.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.392 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -60.65 -41.04 94.19 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.845 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.465 ' HA ' HD13 ' A' ' 18' ' ' LEU . 62.2 tp -58.58 -47.42 84.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.149 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -60.85 -38.73 86.54 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.31 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.63 -50.73 68.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.079 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -64.53 -37.47 87.65 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.295 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.42 -44.89 95.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -67.87 -32.85 73.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.34 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -58.01 -51.81 68.1 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.005 0.431 . . . . 0.0 110.377 175.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.677 HG13 HD11 ' A' ' 8' ' ' LEU . 87.3 t -64.57 -38.6 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.957 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.41 -35.82 70.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.444 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.12 -40.54 71.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.992 0.425 . . . . 0.0 110.569 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.06 -36.75 77.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.27 0.557 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.02 -24.21 52.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.948 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -76.13 13.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -172.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.516 ' NZ ' ' HB3' ' A' ' 114' ' ' LYS . 9.4 mtpm? -89.92 138.71 31.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.041 0.448 . . . . 0.0 111.104 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.626 -0.702 . . . . 0.0 109.572 174.376 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -122.12 114.8 21.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.958 0.885 . . . . 0.0 112.571 -173.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -117.64 143.04 46.53 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 167.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.9 tp -54.11 -43.21 70.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.166 0.291 . . . . 0.0 111.303 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -67.07 -46.07 75.4 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.765 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 53.2 mm-40 -67.55 -36.88 81.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.665 0.269 . . . . 0.0 111.113 -178.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 tp -69.96 -43.31 71.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.968 0.413 . . . . 0.0 110.531 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.685 HD11 HG13 ' A' ' 108' ' ' VAL . 15.9 tp -63.97 -30.17 71.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.428 -178.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.765 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 50.8 mtpt -55.93 -35.69 66.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.511 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.85 87.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.79 0.328 . . . . 0.0 110.651 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -67.97 -43.72 78.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.251 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 89.1 mt-30 -62.26 -39.24 92.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.076 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 17' ' ' ILE . 55.6 tp60 -61.01 -44.54 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.987 0.422 . . . . 0.0 110.233 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.73 -46.43 75.42 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.975 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.7 mt -58.95 -43.4 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.826 0.346 . . . . 0.0 110.536 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -59.44 -46.48 88.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.909 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.461 HD12 ' HB2' ' A' ' 43' ' ' ALA . 74.6 mt -59.39 -47.84 89.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.611 176.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.1 mt -57.97 -43.8 86.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 111.184 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -61.32 -46.12 91.61 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.923 0.392 . . . . 0.0 110.814 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -44.5 90.57 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.645 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.589 HG13 HD13 ' A' ' 36' ' ' LEU . 39.6 t -60.12 -42.73 91.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.461 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.15 -43.42 92.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.011 0.434 . . . . 0.0 110.5 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 10.5 tmtt? -71.47 -46.93 58.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.634 0.73 . . . . 0.0 109.835 176.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.929 ' HG2' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -58.16 -37.45 74.73 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.924 -174.853 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.82 -25.66 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.943 0.401 . . . . 0.0 111.59 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mmtt -62.76 -27.77 69.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.365 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.43 -82.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -175.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.22 -31.22 7.72 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.51 -0.852 . . . . 0.0 113.994 -166.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.408 ' OD1' ' HB2' ' A' ' 90' ' ' ALA . 22.8 t70 68.68 149.64 0.07 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.788 0.435 . . . . 0.0 112.113 -177.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 58.0 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.115 0.966 . . . . 0.0 113.086 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -58.17 -39.98 80.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.24 0.543 . . . . 0.0 110.718 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.9 tp10 -66.47 -38.45 87.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.143 177.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.499 HD22 ' CD2' ' A' ' 93' ' ' PHE . 78.5 mt -62.32 -37.02 83.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.262 -177.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.55 -46.7 80.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.357 . . . . 0.0 111.129 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -62.1 -50.82 70.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.565 0.697 . . . . 0.0 110.474 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.929 HD21 ' HG2' ' A' ' 24' ' ' LYS . 80.1 mt -61.05 -42.86 99.27 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.537 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.463 HD22 ' HE1' ' A' ' 93' ' ' PHE . 25.2 t-20 -56.06 -48.27 76.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.673 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -45.82 90.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.279 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -66.11 -34.76 78.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.937 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 36' ' ' LEU . 80.4 mt -64.46 -48.88 83.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.951 0.405 . . . . 0.0 110.23 176.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.6 t -61.64 -37.55 78.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.415 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.446 ' C ' ' HD3' ' A' ' 42' ' ' LYS . 1.3 tmtp? -58.89 -46.4 87.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.436 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.461 ' HB2' HD12 ' A' ' 17' ' ' ILE . . . -61.96 -47.03 86.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.171 -178.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -61.29 -48.52 80.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.698 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -60.01 -39.63 86.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.403 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.81 -46.82 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.449 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.482 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -65.64 -45.66 88.14 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.962 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 44' ' ' GLU . 68.9 t -56.34 -38.57 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 120.674 0.274 . . . . 0.0 111.502 -176.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -64.85 -39.75 94.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.703 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.91 -41.59 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.651 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.482 ' HD2' ' O ' ' A' ' 47' ' ' GLY . 64.6 m-85 -67.53 -34.66 77.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -45.4 88.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -39.38 91.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.876 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.89 75.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.351 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.23 -37.37 87.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.11 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.52 -8.72 58.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -109.35 3.79 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.685 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.02 104.08 1.67 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.25 -176.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -70.1 -51.61 30.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.304 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 19.3 m120 -84.84 129.36 56.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.868 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 31.4 Cg_exo -59.58 -32.97 96.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.75 2.3 . . . . 0.0 111.423 176.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.08 -43.06 93.4 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.669 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.25 -36.33 81.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.296 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -61.57 -37.67 84.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.435 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -46.08 92.19 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.791 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.06 -46.48 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.562 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.4 -46.7 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.744 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.75 -43.29 94.33 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.945 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -58.95 -45.77 89.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.315 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 79.3 mt -67.86 -39.33 81.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.427 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.73 -46.79 81.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -68.44 -45.03 73.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.538 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.594 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 2.0 m-20 -60.23 -40.13 89.12 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.78 -177.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.455 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 25.3 mm-40 -73.11 -34.6 66.25 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.363 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -40.52 82.9 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.758 0.79 . . . . 0.0 109.167 171.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 21.4 ttmt -57.22 -40.47 77.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.274 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -74.7 -39.77 61.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.163 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 74' ' ' GLU . 78.1 mt -57.11 -43.62 81.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.926 0.393 . . . . 0.0 110.052 176.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.3 -50.62 70.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.48 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.461 ' HB3' HD11 ' A' ' 96' ' ' LEU . 51.2 m0 -60.79 -47.36 86.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.135 0.493 . . . . 0.0 111.358 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -71.3 -30.91 66.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.859 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -68.03 -35.71 78.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.023 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.89 -34.6 76.97 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.068 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.43 -30.04 69.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.916 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.6 t -68.93 -16.91 63.87 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.341 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -84.6 -52.63 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.93 107.06 2.28 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -143.17 81.32 0.23 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.88 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -63.29 162.19 12.59 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.666 -0.124 . . . . 0.0 110.666 177.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -49.18 -37.89 24.05 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.581 0.551 . . . . 0.0 112.486 -175.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -60.65 -50.13 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.643 0.735 . . . . 0.0 110.199 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -72.44 -43.31 63.97 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.073 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.499 ' CD2' HD22 ' A' ' 33' ' ' LEU . 38.0 t80 -67.07 -46.31 74.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.434 -172.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.59 83.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 110.715 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 19.3 m -69.21 -39.12 78.78 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.14 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 80' ' ' TRP . 48.7 tp -61.01 -46.19 91.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.856 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 93' ' ' PHE . 95.5 t -57.42 -41.65 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.01 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -64.91 -45.63 85.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 95' ' ' SER . 85.8 mm-40 -67.04 -36.63 82.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -65.87 -46.08 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.936 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -38.03 74.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.509 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 0.4 OUTLIER -62.06 -44.6 96.34 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 178.773 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.664 ' HA ' ' HD2' ' A' ' 106' ' ' ARG . 0.5 OUTLIER -67.64 -39.3 84.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.803 -177.304 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -65.77 -37.16 85.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.968 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.05 -33.69 76.33 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.805 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.664 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 95.6 mtt180 -65.5 -41.36 93.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.849 176.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.488 ' O ' HG13 ' A' ' 111' ' ' ILE . 61.4 m170 -58.87 -50.82 72.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.106 177.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.685 HG13 HD11 ' A' ' 8' ' ' LEU . 61.1 t -58.92 -46.01 91.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.105 0.479 . . . . 0.0 110.386 177.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.417 ' O ' ' HE2' ' A' ' 113' ' ' LYS . 17.2 mm-40 -58.24 -40.56 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.607 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -71.59 -37.46 70.98 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 107' ' ' HIS . 78.8 mt -72.36 -49.49 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -176.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -56.16 -39.18 71.94 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -170.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.417 ' HE2' ' O ' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -97.84 10.52 39.98 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.198 -173.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.825 ' HE2' ' HA ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -103.02 98.6 8.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.167 0.508 . . . . 0.0 110.762 -178.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.433 -0.794 . . . . 0.0 110.031 175.019 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 tpp . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -103.05 152.52 21.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.193 0.52 . . . . 0.0 111.713 -171.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.3 mp0 -65.21 -52.28 55.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.794 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.1 tp -58.66 -33.33 69.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.91 -174.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -60.62 -43.59 97.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.975 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -72.35 -37.06 68.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.309 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.8 -41.53 95.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.999 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.4 tp -69.62 -45.59 68.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.291 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -57.95 -36.06 72.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.217 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.48 91.1 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.679 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.18 -43.86 97.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.012 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.34 -32.69 70.33 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.072 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -66.31 -43.82 85.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.437 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.51 -38.93 93.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.912 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.3 mt -60.14 -41.05 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.677 0.275 . . . . 0.0 110.699 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -58.92 -47.61 84.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.418 0.628 . . . . 0.0 110.086 176.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 21' ' ' VAL . 72.3 mt -60.35 -46.46 95.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.883 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.5 -39.39 79.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.107 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -63.68 -45.23 91.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.367 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -47.64 84.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.019 0.438 . . . . 0.0 110.329 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.564 HG21 HD11 ' A' ' 40' ' ' ILE . 61.8 t -68.45 -39.87 81.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.462 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.89 -41.56 96.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.963 0.411 . . . . 0.0 110.362 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -67.29 -49.61 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.69 0.757 . . . . 0.0 109.997 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.95 -23.24 63.4 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.449 -1.25 . . . . 0.0 111.643 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.25 -25.84 68.24 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.867 0.365 . . . . 0.0 111.05 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -69.35 -28.77 66.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.64 -45.87 60.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.71 22.42 72.3 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.021 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.67 119.26 21.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.066 0.46 . . . . 0.0 110.443 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.71 -36.84 85.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.114 -174.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -71.65 -44.13 64.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.975 0.417 . . . . 0.0 110.678 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.1 tp10 -64.09 -49.5 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.985 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.98 -36.51 81.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.331 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.29 -48.01 81.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.819 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 29.0 ttt180 -66.04 -47.46 74.3 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.006 0.432 . . . . 0.0 110.446 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.555 ' HB3' HG22 ' A' ' 21' ' ' VAL . 60.3 mt -58.17 -34.61 70.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.75 -176.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.514 ' O ' HG23 ' A' ' 41' ' ' VAL . 65.0 t30 -60.44 -48.01 83.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -60.12 -40.05 88.4 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.878 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 5.3 mm-40 -60.35 -39.63 87.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.598 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.564 HD11 HG21 ' A' ' 21' ' ' VAL . 74.7 mt -66.18 -48.7 80.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.338 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 37' ' ' ASN . 60.9 t -56.63 -43.86 79.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.393 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -61.86 -45.92 91.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.1 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.07 75.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.247 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.0 mm-40 -61.65 -48.11 82.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -59.07 -42.79 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.808 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -68.85 -44.61 73.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.24 -46.45 94.44 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.102 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 44' ' ' GLU . 25.2 t -61.93 -35.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.117 0.484 . . . . 0.0 110.602 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -60.22 -38.23 82.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.052 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.0 t -71.08 -41.6 76.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.75 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -63.04 -39.35 94.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.824 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -61.43 -35.71 78.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.387 . . . . 0.0 110.888 176.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.19 -46.18 81.8 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.381 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.05 -31.83 72.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.773 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.75 68.84 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -76.09 -21.28 56.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 0.0 110.651 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -92.84 9.43 35.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.742 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.95 102.96 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.472 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -80.99 -15.65 55.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.05 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' HB2' ' HG3' ' A' ' 63' ' ' LYS . 12.2 m120 -117.3 124.03 29.42 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.079 -178.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.14 -27.83 85.7 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.975 2.45 . . . . 0.0 111.788 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -64.37 -46.45 83.32 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.824 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.495 ' HG3' ' HB2' ' A' ' 60' ' ' ASN . 46.0 mttm -73.29 -32.29 64.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.207 -178.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -39.75 91.31 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.024 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.403 ' OE1' ' HG2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -60.53 -47.01 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.44 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 70' ' ' ILE . 47.4 t -60.19 -51.11 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.469 178.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.71 -44.19 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 71' ' ' LEU . 22.2 t70 -60.52 -43.94 96.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.984 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HG2' ' OE1' ' A' ' 65' ' ' GLN . 31.7 mmtp -58.48 -46.52 86.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.395 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 66' ' ' VAL . 78.6 mt -59.99 -42.27 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.242 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 68' ' ' ASP . 26.5 mt -57.0 -50.09 73.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.705 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.19 -41.25 77.4 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.419 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.515 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 13.4 m-20 -68.98 -37.67 78.9 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.431 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 78' ' ' ILE . 26.2 mm-40 -69.28 -38.65 78.44 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.034 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.457 ' OE2' HG11 ' A' ' 48' ' ' VAL . 25.7 mm-40 -58.4 -40.46 82.44 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.524 0.678 . . . . 0.0 110.075 173.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 86.3 tttt -59.83 -41.32 91.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.954 176.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 43.9 m170 -65.76 -45.59 81.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.007 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 74' ' ' GLU . 71.0 mt -56.32 -38.82 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.922 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.08 -41.58 92.78 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.421 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.456 ' CZ2' ' HE2' ' A' ' 76' ' ' LYS . 29.0 m0 -67.09 -46.97 72.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.07 0.462 . . . . 0.0 111.072 -177.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -70.48 -30.65 67.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.799 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -59.56 -46.78 87.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.739 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.79 -34.31 76.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.714 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.83 -30.42 70.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.643 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -74.61 5.54 4.72 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 111.712 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -133.32 -44.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.816 0.341 . . . . 0.0 110.346 177.081 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -141.26 104.47 4.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.228 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -164.72 164.43 36.91 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.182 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.484 ' O ' ' HB2' ' A' ' 93' ' ' PHE . 8.9 p30 -128.14 179.97 5.32 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 178.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.93 -38.48 17.96 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -174.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.75 -49.37 76.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.027 0.441 . . . . 0.0 111.215 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 15.4 mm-40 -69.48 -28.83 66.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.85 177.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 89' ' ' ASN . 38.8 t80 -66.13 -38.91 89.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.202 -178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.56 97.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.8 t -69.23 -34.81 75.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.728 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.0 -47.4 86.01 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.656 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.33 -41.03 88.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.699 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.567 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 49.5 tt0 -65.91 -46.77 77.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.578 -177.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -69.59 -34.87 74.73 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.214 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.458 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 6.2 t-160 -62.16 -43.9 97.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.04 -42.87 91.28 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.524 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 28.9 mm-40 -63.2 -43.85 97.03 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.03 0.443 . . . . 0.0 110.693 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.09 -44.27 97.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.267 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 49.8 mm-40 -63.79 -33.12 74.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.302 -178.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -60.78 -36.67 79.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.787 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.79 -42.36 99.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.723 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -59.34 -46.43 88.62 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.0 0.429 . . . . 0.0 109.862 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.54 -46.51 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.006 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -57.81 -46.13 85.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.609 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -68.73 -41.9 78.38 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.019 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.8 mt -74.18 -51.88 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.812 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -68.79 -35.18 76.71 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -171.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 98.1 mttt -84.61 -14.39 48.84 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.53 -0.468 . . . . 0.0 112.141 -173.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.558 ' C ' ' HD3' ' A' ' 114' ' ' LYS . 5.5 tmtt? 170.84 110.81 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 124.021 0.826 . . . . 0.0 110.091 173.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.405 ' N ' ' HD3' ' A' ' 114' ' ' LYS . 50.5 t30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.906 174.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -119.8 118.42 30.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 171.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -117.72 18.41 14.14 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.981 -174.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -130.01 -36.52 1.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -174.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -62.74 -44.72 95.48 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -172.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -63.64 -35.73 81.48 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.023 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.46 -49.4 66.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.249 178.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 36.7 tp -63.76 -44.9 92.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.762 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.63 -35.78 70.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.866 -179.819 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.09 84.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 110.435 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.11 -43.82 98.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.705 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 96.1 mt-30 -59.08 -40.98 86.92 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.425 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.49 -44.08 92.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.303 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.571 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -64.95 -47.03 87.26 Favored Glycine 0 C--O 1.226 -0.355 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.278 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.408 HG23 HD21 ' A' ' 101' ' ' LEU . 78.0 mt -58.68 -42.49 85.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.381 . . . . 0.0 110.733 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -61.93 -46.6 88.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.221 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 21' ' ' VAL . 70.0 mt -59.33 -42.59 87.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.824 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.5 mt -60.48 -43.01 97.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.315 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -62.68 -40.15 96.21 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.686 0.279 . . . . 0.0 110.777 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.06 -47.39 84.9 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.119 0.485 . . . . 0.0 110.608 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.517 HG21 HD11 ' A' ' 40' ' ' ILE . 96.2 t -64.29 -40.15 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.01 178.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.7 tp -59.55 -39.99 85.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.182 0.515 . . . . 0.0 110.423 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -64.57 -50.16 68.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.604 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -64.94 -25.54 67.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.003 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.18 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 110.519 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -74.43 -29.78 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.338 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -71.0 -41.53 70.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.764 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.33 14.42 64.02 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 114.322 169.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.54 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.9 t70 -76.03 118.17 18.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.464 0.632 . . . . 0.0 109.917 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -76.14 -31.95 58.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.646 -172.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -62.9 -44.69 95.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.107 0.48 . . . . 0.0 109.793 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -66.65 -42.16 87.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.731 176.754 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 83.7 mt -59.67 -37.31 78.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.902 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.45 92.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.744 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -67.38 -50.5 59.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.059 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 87.1 mt -58.84 -48.62 80.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.715 -176.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.453 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -55.95 -49.49 73.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.824 -176.272 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.466 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 11.6 mm-40 -69.17 -36.38 77.3 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.094 0.473 . . . . 0.0 111.241 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.85 -34.89 76.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.423 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.517 HD11 HG21 ' A' ' 21' ' ' VAL . 80.2 mt -63.13 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 173.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 78' ' ' ILE . 93.5 t -58.37 -46.6 89.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.499 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.94 -44.95 87.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.41 92.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.216 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.1 tp10 -62.65 -46.81 86.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.996 178.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -59.04 -40.19 84.32 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.612 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -58.72 -43.32 90.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.834 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.22 -40.46 81.71 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.101 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 44' ' ' GLU . 77.2 t -56.61 -41.37 73.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.577 0.227 . . . . 0.0 110.886 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -59.63 -41.66 90.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.26 -41.35 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.701 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.622 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 27.5 m-85 -65.61 -37.4 86.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.748 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.528 ' HA ' HD11 ' A' ' 71' ' ' LEU . 61.9 mmtt -58.84 -45.33 90.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.152 0.501 . . . . 0.0 110.334 174.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.7 -48.2 82.61 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.929 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.95 -36.3 69.83 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -174.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -43.04 80.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 111.858 -175.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -96.8 4.44 51.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.221 0.534 . . . . 0.0 110.892 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -107.48 -4.64 18.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.367 172.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.75 136.11 28.14 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.147 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -83.59 -4.36 58.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.06 -173.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.54 ' OD1' ' HB3' ' A' ' 62' ' ' GLU . 13.4 t-20 -146.43 134.98 10.93 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.151 -177.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 11.8 Cg_endo -55.51 -41.8 74.27 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.482 2.788 . . . . 0.0 113.375 -177.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.54 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 38.5 tt0 -57.91 -44.65 86.94 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.526 0.679 . . . . 0.0 110.071 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.502 ' HG2' ' HB3' ' A' ' 60' ' ' ASN . 61.9 mmtt -65.41 -37.08 85.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.568 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 64' ' ' ARG . 13.5 ttm180 -57.04 -47.37 81.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.255 175.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 62' ' ' GLU . 46.1 mt-30 -58.57 -44.35 89.73 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.062 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 62' ' ' GLU . 59.1 t -61.55 -53.78 43.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.3 mt -63.38 -38.98 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.89 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.16 -48.34 78.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.363 -179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -71.14 -32.29 68.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.184 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.78 -38.52 82.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.344 0.592 . . . . 0.0 109.553 171.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.622 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 3.3 mt -56.33 -39.19 72.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.92 176.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.55 -46.44 83.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.783 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -67.61 -37.85 83.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.549 -177.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 7.5 mm-40 -69.0 -43.89 73.93 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.531 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -37.49 73.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.637 0.732 . . . . 0.0 110.293 172.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 31.1 ttmt -68.91 -37.84 79.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.173 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -64.43 -34.75 78.9 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.85 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.629 HG23 HG13 ' A' ' 41' ' ' VAL . 75.8 mt -61.25 -43.6 96.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.87 175.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -58.97 -41.93 88.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.225 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.498 ' HB3' HD11 ' A' ' 96' ' ' LEU . 51.9 m0 -63.63 -46.35 86.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -69.94 -30.59 68.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.666 -177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.34 -46.5 89.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.264 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.68 71.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.524 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.64 65.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.024 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.9 t -63.48 97.26 0.13 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.305 -172.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 86' ' ' LYS . 36.4 mtpt -152.45 -177.87 6.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.326 173.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -81.55 87.89 6.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.32 -139.7 11.17 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 62.34 23.06 13.63 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 121.022 0.439 . . . . 0.0 109.953 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.55 89.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.723 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.89 -48.77 78.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.244 0.545 . . . . 0.0 110.78 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -72.08 -32.13 66.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.965 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.401 ' O ' HG23 ' A' ' 97' ' ' VAL . 62.3 t80 -66.31 -42.92 87.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.725 0.298 . . . . 0.0 110.219 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.81 79.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.681 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.499 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 13.0 t -69.74 -41.69 74.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.868 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 80' ' ' TRP . 61.1 tp -60.23 -46.2 90.6 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.546 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.444 HG13 HD22 ' A' ' 18' ' ' LEU . 77.2 t -57.82 -41.91 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.782 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -65.17 -41.44 94.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.796 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 95' ' ' SER . 79.9 mm-40 -65.03 -41.8 94.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 110.463 178.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -63.61 -45.24 91.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.163 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.408 HD21 HG23 ' A' ' 15' ' ' ILE . 2.4 tt -58.69 -40.25 83.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.009 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 29.1 mm-40 -64.27 -40.86 96.85 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.805 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.89 -45.54 81.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.429 . . . . 0.0 109.918 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -63.14 -33.31 75.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.615 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -60.8 -36.15 78.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.134 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 102' ' ' GLN . 8.4 mmt180 -71.3 -34.83 70.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.03 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -64.11 -45.1 90.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.572 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.74 -39.59 85.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.181 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 29.7 mm-40 -56.6 -46.68 80.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.442 176.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.74 -44.17 97.43 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.657 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 70.5 mt -72.31 -36.8 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -68.22 -49.34 61.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.543 ' HG3' ' HD2' ' A' ' 114' ' ' LYS . 36.1 pttt -90.0 -8.38 51.74 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -170.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.543 ' HD2' ' HG3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER 179.52 -160.04 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.765 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 114' ' ' LYS . 1.8 p30 . . . . . 0 C--N 1.318 -0.785 0 CA-C-O 118.898 -0.573 . . . . 0.0 109.853 173.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.1 mtm . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.733 0.301 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -83.42 98.45 9.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 172.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.47 122.59 16.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.402 -0.817 . . . . 0.0 113.203 -168.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.6 mt -132.7 -20.61 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.504 170.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.78 -44.07 78.29 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -175.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -64.79 -35.91 82.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.714 0.293 . . . . 0.0 110.941 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 51' ' ' TYR . 46.4 tp -66.59 -49.12 67.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.084 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.9 tp -62.54 -39.66 94.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.476 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -56.85 -38.57 72.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.052 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB1' ' HA2' ' A' ' 47' ' ' GLY . . . -63.23 -42.78 99.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.903 0.382 . . . . 0.0 110.617 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.36 -45.55 65.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.406 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.64 -35.56 74.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.222 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -61.03 -44.17 97.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.711 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.511 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -67.11 -43.3 90.51 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.92 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.81 -43.97 89.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.085 0.469 . . . . 0.0 110.243 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -58.28 -46.91 85.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.435 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 21' ' ' VAL . 75.1 mt -62.66 -46.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.295 176.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.2 mt -58.43 -46.33 86.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.47 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -64.53 -34.57 78.54 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.054 0.454 . . . . 0.0 110.738 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -39.6 90.07 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.804 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 17' ' ' ILE . 45.4 t -67.03 -40.99 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.948 0.404 . . . . 0.0 110.423 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.56 -36.14 77.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.507 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -67.42 -49.15 64.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.234 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -22.86 60.57 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.934 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.36 -25.85 66.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.447 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -68.74 -29.68 68.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.016 0.436 . . . . 0.0 110.773 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -76.91 -52.67 9.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.997 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.31 49.6 6.18 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.974 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -106.1 129.9 54.1 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -73.13 -30.6 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.064 -172.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -71.42 -42.13 68.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.156 0.503 . . . . 0.0 109.898 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 19.6 tp10 -59.63 -49.64 76.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.268 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.2 -37.0 84.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.257 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.21 82.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.891 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -60.8 -49.77 76.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.54 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.54 ' O ' HG13 ' A' ' 40' ' ' ILE . 96.2 mt -58.48 -40.73 83.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.766 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 41' ' ' VAL . 49.0 t30 -58.38 -49.37 77.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 0.0 110.142 178.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -42.07 93.77 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.994 178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -63.83 -34.76 78.64 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.163 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.547 HD11 HG21 ' A' ' 21' ' ' VAL . 93.9 mt -65.99 -46.77 87.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.928 0.394 . . . . 0.0 110.345 175.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 37' ' ' ASN . 29.9 t -61.5 -37.51 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.59 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -66.18 -46.34 77.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.009 173.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.64 94.47 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.454 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.2 mm-40 -59.31 -40.38 86.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.487 ' NZ ' HG12 ' A' ' 41' ' ' VAL . 50.5 mttp -62.11 -37.53 85.49 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.008 0.432 . . . . 0.0 110.476 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -63.07 -46.57 86.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.017 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.477 ' HA2' ' HB1' ' A' ' 10' ' ' ALA . . . -67.76 -45.68 73.5 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.577 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 44' ' ' GLU . 54.1 t -57.14 -40.26 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 122.241 0.216 . . . . 0.0 111.149 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -61.24 -47.98 83.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.618 0.247 . . . . 0.0 110.718 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.7 t -68.14 -42.71 85.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.655 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.489 ' CD1' HD11 ' A' ' 7' ' ' LEU . 21.7 m-85 -58.05 -48.33 80.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.849 0.357 . . . . 0.0 110.451 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.2 tptp -60.72 -45.78 92.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.675 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.16 -50.33 74.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.55 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.64 -34.42 64.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.43 -43.69 88.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 8.3 pt-20 -91.03 12.71 18.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.287 0.565 . . . . 0.0 110.637 -176.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -130.72 12.63 5.33 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.356 175.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.87 143.94 28.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.436 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -82.66 -36.55 25.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.98 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -87.05 116.66 66.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.899 -174.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.95 -27.6 20.57 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.756 2.304 . . . . 0.0 113.025 -177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.94 -45.45 64.16 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.261 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 59.4 mttm -74.66 -23.81 58.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.729 175.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -43.32 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -66.39 -39.62 89.15 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.814 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 70' ' ' ILE . 61.6 t -61.19 -48.67 87.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.281 177.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.412 HG23 ' HD1' ' A' ' 51' ' ' TYR . 81.2 mt -63.34 -40.63 89.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -61.92 -45.79 92.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 110.303 177.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -59.71 -44.97 93.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.106 176.483 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.458 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 76.8 mt -62.15 -39.86 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.625 177.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.571 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 6.7 mt -57.68 -49.47 76.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.77 -42.18 88.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.441 ' HA ' ' HZ2' ' A' ' 76' ' ' LYS . 95.0 m-20 -58.84 -46.85 86.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.232 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 30.8 mm-40 -66.18 -37.28 85.24 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.371 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 59.0 mm-40 -57.58 -37.7 73.62 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 109.894 173.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HZ2' ' HA ' ' A' ' 73' ' ' ASP . 3.9 ttmp? -68.88 -39.97 79.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.435 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -63.22 -42.72 99.31 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.85 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.9 mt -57.83 -37.51 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.713 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 82' ' ' LYS . 40.7 tt0 -64.93 -42.37 94.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.261 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.455 ' HB3' HD11 ' A' ' 96' ' ' LEU . 51.4 m0 -62.34 -47.24 85.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.166 0.508 . . . . 0.0 110.643 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -70.58 -28.79 65.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 80.0 tttt -57.81 -48.47 79.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.059 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 -35.05 75.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.78 67.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.889 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.5 m -63.16 -27.33 69.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -110.53 90.62 3.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 72.4 101.95 0.07 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 124.013 0.82 . . . . 0.0 111.95 177.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -136.26 179.05 18.28 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.721 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -126.74 159.58 33.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.06 0.43 . . . . 0.0 109.977 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.92 -63.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.656 0.614 . . . . 0.0 112.656 -171.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.96 -39.68 95.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.903 0.383 . . . . 0.0 111.465 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 12.5 mm-40 -61.97 -35.98 80.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.481 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 97' ' ' VAL . 72.3 t80 -68.66 -42.03 78.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.98 0.419 . . . . 0.0 110.029 176.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.09 -38.73 87.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.899 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 t -72.25 -33.55 67.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.198 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 80' ' ' TRP . 41.7 tp -59.49 -46.89 87.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.163 0.506 . . . . 0.0 109.652 175.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 93' ' ' PHE . 89.6 t -60.3 -37.8 75.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.47 175.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 55.7 tt0 -65.37 -47.84 75.0 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.494 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -42.97 98.45 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 110.328 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.506 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 4.4 t-160 -60.88 -46.69 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.118 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 45.3 tp -58.45 -48.83 79.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.53 -177.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 28.7 mm-40 -58.61 -37.29 75.55 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.692 -177.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -69.32 -43.69 73.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.113 0.482 . . . . 0.0 110.289 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 15.2 mm-40 -65.26 -38.29 89.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.314 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 26.1 mt-30 -61.43 -36.69 81.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.317 0.579 . . . . 0.0 109.966 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 73.2 ttt180 -69.7 -37.93 76.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.934 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -58.52 -44.95 89.72 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.22 -42.89 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.996 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.13 -37.32 71.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.178 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 106' ' ' ARG . 45.9 mt-10 -71.53 -48.77 46.56 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.498 178.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.7 -38.21 81.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -62.45 -26.44 68.51 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.436 ' HB3' ' H ' ' A' ' 114' ' ' LYS . 44.3 mmtm -92.31 -163.23 1.01 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.068 0.461 . . . . 0.0 111.466 -175.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.436 ' H ' ' HB3' ' A' ' 113' ' ' LYS . 52.1 mtpt -74.26 -50.78 17.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.253 -171.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.408 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 3.1 m-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.489 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 mtt . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.647 0.26 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.446 ' HB3' HD13 ' A' ' 4' ' ' LEU . 3.2 t70 -87.27 176.71 7.42 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -88.54 30.51 0.89 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -170.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.446 HD13 ' HB3' ' A' ' 2' ' ' ASP . 11.0 mp -60.07 -37.35 79.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.323 . . . . 0.0 111.251 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -65.28 -40.6 94.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.946 0.403 . . . . 0.0 110.305 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.39 -41.29 63.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.179 0.514 . . . . 0.0 110.417 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.493 HD21 ' CE1' ' A' ' 51' ' ' TYR . 30.9 tp -62.91 -37.85 88.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.605 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 111' ' ' ILE . 32.8 tp -56.52 -41.8 77.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.551 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -57.15 -44.8 83.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.462 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.05 98.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.038 0.446 . . . . 0.0 110.757 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -67.71 -44.12 78.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.105 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 99.0 mt-30 -62.79 -39.07 93.09 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.142 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -61.94 -43.72 98.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.977 0.418 . . . . 0.0 110.565 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.88 -44.12 97.9 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.019 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.05 -40.72 86.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.819 0.343 . . . . 0.0 110.681 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -58.24 -46.68 85.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.217 0.532 . . . . 0.0 109.644 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 21' ' ' VAL . 78.7 mt -62.21 -42.59 95.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.058 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 94.4 mt -59.94 -41.59 92.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.606 0.241 . . . . 0.0 110.773 178.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.66 -40.96 96.33 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 121.189 0.519 . . . . 0.0 110.736 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.91 -45.99 92.45 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.137 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.572 HG22 ' HB3' ' A' ' 36' ' ' LEU . 96.7 t -67.48 -44.35 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.77 -36.52 79.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.105 0.479 . . . . 0.0 110.288 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.19 -51.07 67.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.809 0.814 . . . . 0.0 110.206 175.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.11 -23.55 65.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.084 -1.416 . . . . 0.0 112.215 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.551 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -61.94 -31.6 71.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.995 0.426 . . . . 0.0 111.019 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -70.21 -28.94 65.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.266 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.17 -32.86 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.826 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.38 51.76 9.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.12 -0.562 . . . . 0.0 113.636 173.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.519 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.5 t70 -118.7 118.31 31.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -68.25 -31.64 71.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.059 -172.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -70.81 -38.67 73.31 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.118 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 3.2 tp10 -60.06 -49.83 76.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.655 175.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.551 HD21 ' HA ' ' A' ' 25' ' ' ALA . 85.1 mt -59.96 -43.84 94.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.049 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.97 95.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.753 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -64.36 -42.01 96.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.29 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HB3' HG22 ' A' ' 21' ' ' VAL . 97.7 mt -62.94 -44.31 96.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.651 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.29 -39.12 85.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 110.43 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.08 -40.83 97.11 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.743 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.11 -40.65 98.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.081 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.519 HD11 HG21 ' A' ' 21' ' ' VAL . 78.9 mt -60.52 -50.49 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.624 177.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.56 HG13 HG23 ' A' ' 78' ' ' ILE . 85.4 t -61.08 -43.95 97.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.909 0.385 . . . . 0.0 110.699 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.99 -46.03 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.87 71.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.575 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' OE2' ' HB2' ' A' ' 77' ' ' HIS . 1.9 tp10 -62.82 -47.51 83.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.704 -178.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -63.48 -37.33 86.87 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.162 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 49' ' ' LYS . 28.5 tt0 -60.02 -42.15 93.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.94 175.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.55 -46.07 95.05 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.598 175.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 44' ' ' GLU . 83.1 t -58.91 -36.94 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.001 0.429 . . . . 0.0 110.838 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 46' ' ' GLN . 64.8 tttp -56.19 -47.77 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.458 176.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.2 t -71.49 -41.16 72.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.085 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.518 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 12.1 m-85 -58.33 -40.72 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.353 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.11 -40.77 98.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.093 0.473 . . . . 0.0 110.047 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -66.18 -41.09 90.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.945 176.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.63 78.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.177 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.7 90.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.219 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.68 -31.08 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.891 ' HZ2' ' HB3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -79.66 -22.2 43.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.652 -176.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.95 131.35 50.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.331 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -86.0 -44.71 12.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.795 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -87.39 123.69 69.29 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.997 -174.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.91 -37.01 88.48 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.07 2.513 . . . . 0.0 112.67 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.89 -43.63 92.28 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.898 0.38 . . . . 0.0 110.885 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.96 -38.47 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.416 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.54 -36.14 79.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.68 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 28.4 tt0 -64.16 -40.18 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.464 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 70' ' ' ILE . 58.1 t -60.09 -43.58 93.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.127 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.73 -44.76 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.861 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -58.19 -42.52 86.31 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.063 0.459 . . . . 0.0 110.725 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 65' ' ' GLN . 42.4 mtpt -59.12 -45.57 90.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.315 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 66' ' ' VAL . 61.6 mt -67.56 -38.79 81.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.906 0.384 . . . . 0.0 110.447 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.518 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 5.9 mt -56.23 -43.57 78.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.41 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 6.7 tm-20 -63.83 -40.21 96.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.031 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.456 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 31.1 m-20 -69.47 -45.95 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.307 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.512 ' O ' HG13 ' A' ' 78' ' ' ILE . 14.2 mm-40 -68.69 -42.71 77.39 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.786 -177.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.61 -34.9 69.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.369 0.604 . . . . 0.0 109.995 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.646 ' HD2' ' CZ2' ' A' ' 80' ' ' TRP . 1.8 ttmm -66.53 -45.93 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.872 177.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.467 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 39.1 m170 -62.48 -41.3 98.69 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.559 -177.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.56 HG23 HG13 ' A' ' 41' ' ' VAL . 62.1 mt -56.31 -45.35 81.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.881 177.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -57.11 -40.02 76.22 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.731 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.646 ' CZ2' ' HD2' ' A' ' 76' ' ' LYS . 53.2 m0 -65.84 -47.25 75.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.036 0.446 . . . . 0.0 110.997 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -69.99 -31.18 68.75 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.117 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -62.24 -36.13 81.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.888 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.78 -31.76 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.289 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.46 -34.34 78.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.791 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.9 m -81.82 21.5 0.84 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -69.92 -43.57 71.39 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 171.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -139.98 -47.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.601 172.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.99 91.6 2.07 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.737 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.594 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . 40.6 t30 -103.44 127.06 50.9 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.43 73.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.905 -174.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.07 -51.02 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.778 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.594 ' HG2' ' HB3' ' A' ' 89' ' ' ASN . 8.1 pt20 -73.35 -33.23 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.969 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.83 -48.21 77.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.606 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.9 -37.16 85.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.612 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.7 m -68.67 -41.74 78.86 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.551 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.23 -47.94 82.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.899 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.33 -39.05 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.639 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -62.45 -45.87 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.986 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -72.96 -40.47 65.31 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.649 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 12.0 t-160 -58.47 -42.38 87.33 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.37 -47.91 80.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.42 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.503 ' O ' ' HD3' ' A' ' 106' ' ' ARG . 15.0 mm-40 -60.2 -44.18 95.35 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.226 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.599 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 3.1 m-20 -63.26 -41.73 99.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.217 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.465 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 35.3 mm-40 -67.2 -37.13 83.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.698 0.285 . . . . 0.0 110.996 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -63.66 -35.34 80.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.785 0.326 . . . . 0.0 110.442 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.599 ' HE ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -66.39 -33.41 75.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.95 174.171 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' HG13 ' A' ' 111' ' ' ILE . 64.3 m170 -64.72 -45.66 85.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.173 175.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' A' ' 112' ' ' GLU . 92.1 t -62.84 -40.46 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.084 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.99 -36.92 70.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.076 175.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.38 -46.67 75.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.942 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.462 HG21 HD13 ' A' ' 8' ' ' LEU . 71.7 mt -67.02 -43.41 89.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.85 -176.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 45.3 mm-40 -58.48 -38.3 77.33 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.152 0.501 . . . . 0.0 111.014 179.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.613 ' HZ2' ' HB3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -76.51 -22.04 54.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.9 -179.269 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? 61.37 -106.24 0.23 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.963 -172.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.453 HD22 ' C ' ' A' ' 115' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.841 178.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -131.02 106.78 8.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.325 0.583 . . . . 0.0 111.604 -164.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -110.05 -58.92 2.0 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 173.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -173.66 -30.73 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.417 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -60.73 -46.12 91.65 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.714 0.292 . . . . 0.0 111.411 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -66.2 -35.78 81.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.778 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.89 -49.71 49.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.799 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.787 HD11 HG13 ' A' ' 108' ' ' VAL . 20.5 tp -67.77 -45.31 75.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.112 -175.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -58.67 -35.61 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.404 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.07 -45.47 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.976 0.417 . . . . 0.0 110.59 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.21 -44.22 95.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.488 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.03 -36.25 82.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.662 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 17' ' ' ILE . 50.4 tt0 -63.34 -43.99 96.12 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.86 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.575 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.61 -43.99 98.19 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.724 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 HD21 ' A' ' 101' ' ' LEU . 82.2 mt -58.51 -45.79 90.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.903 0.382 . . . . 0.0 110.618 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -59.18 -46.44 88.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.915 178.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . 75.2 mt -59.42 -47.08 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.683 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.9 mt -58.88 -39.61 81.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.347 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 61.0 mtpt -64.69 -39.48 93.74 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.807 0.337 . . . . 0.0 110.864 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -47.5 77.31 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.044 176.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' ILE . 57.4 t -61.3 -39.94 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.034 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.4 -46.56 88.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.988 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -66.33 -42.97 87.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.481 0.658 . . . . 0.0 109.802 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.75 ' HD2' HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -70.45 -23.13 62.66 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.515 -178.434 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' O ' ' HB1' ' A' ' 90' ' ' ALA . . . -70.82 -33.1 70.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.257 0.551 . . . . 0.0 109.741 172.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -36.63 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.187 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 46.1 mt-10 -57.02 -52.76 64.0 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 171.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.1 57.76 1.87 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.52 -0.764 . . . . 0.0 114.117 168.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -113.93 120.53 40.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 117.245 0.522 . . . . 0.0 109.929 172.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -56.2 -46.96 79.24 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.49 0.494 . . . . 0.0 111.798 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -67.69 -45.88 73.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.065 -172.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.621 ' CG ' ' HD3' ' A' ' 24' ' ' LYS . 9.4 tp10 -67.45 -38.07 83.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.274 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 25' ' ' ALA . 67.2 mt -65.54 -38.35 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.688 0.28 . . . . 0.0 110.921 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.26 -36.21 81.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.365 0.602 . . . . 0.0 110.068 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -67.58 -41.83 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.046 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.75 HD11 ' HD2' ' A' ' 24' ' ' LYS . 94.9 mt -63.9 -39.47 94.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.49 175.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -55.53 -46.29 77.07 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -59.46 -46.78 87.78 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.027 176.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -64.55 -36.7 85.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.629 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 36' ' ' LEU . 80.6 mt -63.39 -50.76 77.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.472 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.41 HG13 HG23 ' A' ' 78' ' ' ILE . 83.8 t -60.61 -40.19 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.249 0.547 . . . . 0.0 110.01 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -59.18 -46.91 87.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.963 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -47.98 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.185 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.1 mm-40 -59.78 -48.75 80.44 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.965 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -61.76 -36.14 80.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.829 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -61.9 -47.85 83.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.489 . . . . 0.0 110.109 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.92 99.63 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.015 176.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 44' ' ' GLU . 70.6 t -56.66 -45.93 82.72 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 122.241 0.216 . . . . 0.0 110.524 178.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 49' ' ' LYS . 37.3 ttpt -56.36 -43.75 79.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.903 0.382 . . . . 0.0 110.797 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.01 -43.81 92.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.774 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.598 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 29.9 m-85 -66.62 -35.05 79.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.001 177.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.1 mtpp -62.23 -43.81 97.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -57.18 -49.76 74.95 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.492 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.38 77.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.594 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.3 85.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.646 0.26 . . . . 0.0 111.319 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 59.0 mm-40 -76.75 -34.98 58.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.292 0.568 . . . . 0.0 109.751 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -91.47 23.56 3.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.542 176.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.01 117.3 2.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.08 0.466 . . . . 0.0 110.989 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -91.3 -21.29 21.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.338 -175.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 18.7 m120 -135.52 138.79 29.38 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 43.4 Cg_exo -58.03 -43.08 51.4 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.962 2.441 . . . . 0.0 112.491 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 3.8 mp0 -62.85 -45.94 90.24 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 121.652 0.739 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -71.39 -25.02 62.18 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.711 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.473 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -60.95 -40.43 93.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.145 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 78.2 mt-30 -66.73 -42.16 86.71 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.8 -50.54 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.038 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 67.1 mt -63.57 -38.32 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.644 178.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.428 ' HB2' HH11 ' A' ' 64' ' ' ARG . 14.9 t70 -58.49 -49.33 77.76 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.101 0.476 . . . . 0.0 111.291 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 65' ' ' GLN . 48.6 mmtt -67.35 -38.38 84.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.428 -177.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 70.5 mt -67.11 -42.85 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.287 176.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.598 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -60.13 -40.61 90.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.18 -179.719 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -61.7 -44.37 97.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 17.3 m-20 -60.61 -44.46 96.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.448 178.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 38.6 mm-40 -66.02 -44.07 85.76 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.051 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.3 -38.7 77.56 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 121.708 0.766 . . . . 0.0 109.682 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.7 ttmt -66.08 -41.59 90.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.945 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -60.6 -43.39 97.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.607 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.41 HG23 HG13 ' A' ' 41' ' ' VAL . 73.8 mt -57.65 -41.14 78.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.137 176.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -41.91 96.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.655 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.496 ' HB3' HD11 ' A' ' 96' ' ' LEU . 43.2 m0 -61.9 -47.34 85.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 111.33 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -70.47 -31.09 68.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.071 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.57 -45.89 81.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.945 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.23 69.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.049 0.452 . . . . 0.0 111.1 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.09 -29.94 64.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 p -75.58 77.44 2.59 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.555 0.693 . . . . 0.0 112.835 -171.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -137.89 -54.49 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.168 170.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -128.03 110.1 12.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.441 171.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.0 81.57 1.74 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.661 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.466 ' HB3' ' CG ' ' A' ' 92' ' ' GLN . 43.6 t30 -82.92 122.98 28.97 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 176.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -47.09 -56.82 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -167.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.56 -49.34 77.04 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -174.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.466 ' CG ' ' HB3' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -69.84 -30.42 67.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.793 -179.05 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -68.23 -43.9 76.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.47 77.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.804 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.5 m -60.96 -43.03 99.33 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.743 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 80' ' ' TRP . 55.8 tp -62.47 -47.39 84.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.509 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.414 HG13 HD22 ' A' ' 18' ' ' LEU . 89.6 t -61.62 -40.19 85.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.991 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -60.07 -46.02 90.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.031 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -72.84 -35.17 67.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.503 HD21 HG23 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -57.77 -43.96 85.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.51 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 14.8 mm-40 -62.6 -37.42 86.15 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.472 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.33 -49.45 71.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.158 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -62.84 -36.04 81.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 47.6 mt-30 -63.65 -38.92 92.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.589 0.233 . . . . 0.0 110.762 177.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.6 ttp85 -67.23 -33.45 75.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.789 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -63.83 -45.53 89.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.787 HG13 HD11 ' A' ' 8' ' ' LEU . 99.4 t -59.25 -41.11 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.26 174.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 58.0 mm-40 -57.44 -37.88 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.699 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.65 -46.99 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.038 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.6 mt -62.4 -42.12 94.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.078 0.466 . . . . 0.0 110.812 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -62.82 -36.56 83.58 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.001 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.581 ' HE2' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -89.51 11.52 19.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.137 0.494 . . . . 0.0 111.21 179.146 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.472 ' HA ' ' HE3' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -99.09 6.04 46.72 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.679 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.928 178.787 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.573 ' HB2' HD11 ' A' ' 67' ' ' ILE . 24.9 ttt . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.14 -53.1 54.8 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.603 -178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.4 ' OE1' ' HE3' ' A' ' 57' ' ' LYS . 2.8 mp0 -82.4 113.64 20.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 169.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.549 ' HA ' HD13 ' A' ' 7' ' ' LEU . 2.7 pt? -136.5 -14.06 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -69.91 -31.56 69.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.988 0.423 . . . . 0.0 110.463 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 1.7 mp0 -71.83 -32.86 67.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.289 0.566 . . . . 0.0 110.079 175.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 4' ' ' LEU . 8.4 mp -69.92 -42.24 73.58 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.932 176.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.46 HD11 HG13 ' A' ' 108' ' ' VAL . 46.8 tp -60.35 -51.19 70.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.209 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 6' ' ' GLU . 5.9 ptpp? -61.82 -35.69 78.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.51 89.0 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.935 0.397 . . . . 0.0 110.714 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.64 -45.6 93.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.739 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -67.25 -30.46 70.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.86 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 17' ' ' ILE . 26.3 tp60 -65.48 -42.43 92.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.951 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.79 -43.16 98.11 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.851 176.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.11 -40.84 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.453 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.26 -47.18 86.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.533 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 21' ' ' VAL . 85.2 mt -61.87 -44.26 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.811 177.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.0 mt -58.43 -44.16 89.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.706 0.288 . . . . 0.0 111.059 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -63.82 -38.92 92.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.092 0.472 . . . . 0.0 110.703 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -62.68 -46.4 88.32 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.086 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 17' ' ' ILE . 46.9 t -65.59 -39.79 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.02 -38.22 85.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.034 0.445 . . . . 0.0 110.383 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 9.0 tmtm? -67.75 -50.59 56.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.469 0.652 . . . . 0.0 109.716 176.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.754 ' HA ' ' HG3' ' A' ' 27' ' ' GLU . 42.9 mttm -65.39 -22.8 66.83 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.896 -1.047 . . . . 0.0 112.765 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -62.19 -30.18 70.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.188 0.518 . . . . 0.0 109.86 172.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 64.4 mmtt -75.88 -28.07 57.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.457 177.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.754 ' HG3' ' HA ' ' A' ' 24' ' ' LYS . 46.2 mt-10 -62.29 -39.63 93.62 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.5 23.25 12.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 114.567 169.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -102.15 121.1 41.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.653 0.726 . . . . 0.0 110.373 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -70.47 -36.9 74.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.495 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.69 -33.63 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.0 0.428 . . . . 0.0 110.232 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.484 ' CD ' HH21 ' A' ' 35' ' ' ARG . 7.3 tp10 -59.41 -44.77 92.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.828 174.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 25' ' ' ALA . 93.2 mt -59.31 -44.01 92.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.98 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.75 95.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.974 0.416 . . . . 0.0 111.065 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.484 HH21 ' CD ' ' A' ' 32' ' ' GLU . 39.0 ttp180 -66.12 -42.62 88.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.57 ' HB3' HG22 ' A' ' 21' ' ' VAL . 82.9 mt -66.36 -38.75 88.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.149 178.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.3 t30 -60.38 -41.92 94.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.9 0.381 . . . . 0.0 109.981 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -63.54 -36.82 85.05 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.794 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.563 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 6.2 tp10 -61.38 -41.47 97.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.225 0.536 . . . . 0.0 109.759 178.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.39 -46.96 93.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.516 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 37' ' ' ASN . 98.5 t -57.48 -42.22 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.965 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.563 ' HD3' ' HA ' ' A' ' 39' ' ' GLU . 50.4 mtpt -57.58 -46.38 84.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.167 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.86 -47.33 69.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 -177.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . 10.9 mm-40 -62.19 -45.22 94.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -60.59 -46.06 91.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.072 0.463 . . . . 0.0 109.809 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.485 ' O ' HG23 ' A' ' 50' ' ' VAL . 23.0 tp60 -61.38 -43.19 99.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.218 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.69 -45.93 94.07 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.436 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 44' ' ' GLU . 99.6 t -57.49 -43.1 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.55 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.85 -43.82 97.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.677 178.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 46' ' ' GLN . 47.5 t -70.43 -39.85 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.87 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.01 -33.81 76.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.627 0.251 . . . . 0.0 110.803 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -58.84 -45.52 89.86 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.47 -37.7 86.95 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.147 176.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.11 -33.97 72.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.351 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.86 81.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.079 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.46 -6.01 56.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.238 0.542 . . . . 0.0 110.275 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HE3' ' OE1' ' A' ' 3' ' ' GLU . 47.3 mttm -109.19 26.3 10.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.015 172.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.57 91.4 1.83 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.863 0.363 . . . . 0.0 111.242 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -74.5 -12.03 60.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.287 0.565 . . . . 0.0 110.397 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.965 ' HB3' ' HD3' ' A' ' 63' ' ' LYS . 32.3 m-80 -129.87 124.93 21.9 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.982 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.49 -42.49 5.15 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.823 2.349 . . . . 0.0 113.977 -176.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -45.77 66.46 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.853 0.835 . . . . 0.0 110.181 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.965 ' HD3' ' HB3' ' A' ' 60' ' ' ASN . 9.4 mptt -63.47 -21.43 66.31 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.3 -1.318 . . . . 0.0 111.077 178.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -65.68 -37.78 87.44 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -36.78 69.38 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.671 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 70' ' ' ILE . 58.3 t -61.77 -45.81 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.029 175.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.573 HD11 ' HB2' ' A' ' 1' ' ' MET . 60.8 mt -63.49 -46.09 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.297 178.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.17 -40.23 80.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.062 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.426 ' HG2' ' OD2' ' A' ' 73' ' ' ASP . 53.3 tttm -63.29 -47.11 83.7 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.406 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 66' ' ' VAL . 77.4 mt -62.53 -39.86 86.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.173 0.511 . . . . 0.0 109.885 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.71 -42.72 84.36 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.268 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -69.16 -45.04 71.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.438 177.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD2' ' HG2' ' A' ' 69' ' ' LYS . 33.8 m-20 -58.48 -51.5 69.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.435 -178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 78' ' ' ILE . 16.9 mm-40 -63.92 -38.1 89.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.82 -177.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -60.45 -42.56 96.41 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 121.729 0.776 . . . . 0.0 109.89 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 33.2 ttmt -67.59 -37.49 82.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.203 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 60.1 m170 -58.85 -49.81 76.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.329 176.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.661 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 56.1 mt -57.15 -42.92 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.198 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -56.6 -41.92 77.83 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.454 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -64.64 -45.31 87.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.123 0.487 . . . . 0.0 110.891 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.43 ' HD2' ' O ' ' A' ' 77' ' ' HIS . 82.9 m-70 -68.47 -28.07 66.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.309 -175.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 94.1 mttt -56.92 -50.59 72.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 110.507 178.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.35 -35.07 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.43 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.26 -29.04 68.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.59 -176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.2 m -54.23 -24.1 17.25 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -174.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -99.51 -2.0 36.97 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.284 -175.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -137.47 96.89 3.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.98 0.419 . . . . 0.0 110.695 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.93 81.01 0.28 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.31 -174.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -114.92 139.69 49.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 171.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.14 94.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -172.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.46 -50.14 74.0 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -173.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -73.64 -30.69 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.06 0.457 . . . . 0.0 111.348 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -72.5 -37.53 68.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.44 -37.18 74.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.061 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.1 m -68.0 -41.54 82.11 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.59 -47.8 82.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.574 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 88.5 t -61.39 -44.97 99.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.962 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -65.18 -43.28 92.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.308 . . . . 0.0 111.065 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.54 -43.9 97.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.133 0.492 . . . . 0.0 110.53 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.4 t-160 -66.27 -46.2 77.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.154 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 97' ' ' VAL . 2.2 tt -57.32 -46.2 83.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.027 -175.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -62.61 -34.09 76.32 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.6 -42.14 74.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.124 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -65.23 -33.88 77.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.498 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -60.16 -43.02 96.13 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.037 176.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.2 ttt-85 -67.31 -35.56 79.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.456 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -60.46 -51.71 68.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.008 0.432 . . . . 0.0 110.023 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.46 HG13 HD11 ' A' ' 8' ' ' LEU . 97.0 t -60.63 -43.97 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.527 177.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 113' ' ' LYS . 11.6 mm-40 -57.49 -38.75 75.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.495 177.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 114' ' ' LYS . 22.7 mm-40 -70.09 -39.86 75.33 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.49 HG23 HD12 ' A' ' 4' ' ' LEU . 69.4 mt -72.58 -50.12 36.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.434 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.9 -48.9 64.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -175.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 0.4 OUTLIER -74.58 -38.31 62.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.288 0.566 . . . . 0.0 112.13 -172.531 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.472 ' HZ3' ' HB3' ' A' ' 114' ' ' LYS . 7.8 ttpm? -90.55 79.0 6.22 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.003 -174.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 . . . . . 0 C--O 1.248 0.993 0 CA-C-N 115.102 -0.954 . . . . 0.0 108.573 176.416 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -60.07 -84.37 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.275 -168.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -121.3 50.39 1.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.048 0.452 . . . . 0.0 110.169 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.7 mp 65.76 9.12 5.74 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.194 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -60.02 -46.35 89.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.894 -176.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -66.93 -39.54 87.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.634 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.0 tp -69.7 -42.53 73.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.455 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.584 HD11 HG13 ' A' ' 108' ' ' VAL . 32.9 tp -65.52 -49.5 68.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.62 -177.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -62.75 -35.02 78.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.322 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.77 94.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.94 0.4 . . . . 0.0 111.111 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.39 -41.73 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.344 0.592 . . . . 0.0 110.315 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.33 -26.52 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.108 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.43 -43.71 96.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.286 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.28 -39.86 98.27 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.759 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.602 HG23 HD11 ' A' ' 101' ' ' LEU . 76.9 mt -60.72 -42.1 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 110.756 176.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.1 -42.67 99.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.445 0.64 . . . . 0.0 110.028 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 21' ' ' VAL . 77.6 mt -61.65 -42.46 94.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.762 175.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.507 HD22 HG13 ' A' ' 97' ' ' VAL . 93.2 mt -61.2 -38.67 87.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.762 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -60.23 -42.05 94.4 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.556 0.693 . . . . 0.0 110.644 174.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.96 -43.38 79.16 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.116 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 17' ' ' ILE . 90.7 t -61.49 -40.55 86.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.783 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.64 -38.26 87.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.062 0.458 . . . . 0.0 110.602 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -66.58 -49.81 65.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 109.647 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.612 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 60.7 mttm -65.25 -22.17 66.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.053 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -65.34 -33.62 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.03 0.443 . . . . 0.0 110.341 174.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -74.86 -28.41 60.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.464 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.612 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 30.1 mm-40 -55.84 -47.47 77.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 175.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.85 64.21 1.9 Allowed Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.7 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.534 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.1 t70 -135.74 130.33 33.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.621 0.211 . . . . 0.0 110.652 175.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.15 -50.54 73.27 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.434 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -62.16 -43.23 99.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.864 -174.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.56 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 41.2 mm-40 -60.81 -49.63 76.72 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.951 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 86.4 mt -61.79 -42.81 99.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.123 -178.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.2 98.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.073 0.463 . . . . 0.0 110.618 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -65.59 -44.02 87.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.244 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 95.9 mt -63.0 -43.99 97.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.255 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -56.35 -48.18 77.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -36.58 79.29 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 177.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.89 -39.49 89.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.175 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 36' ' ' LEU . 88.8 mt -60.05 -49.26 84.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.139 175.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.654 HG13 HG23 ' A' ' 78' ' ' ILE . 57.8 t -58.08 -42.05 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.414 177.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -62.0 -44.68 96.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.424 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.82 -44.95 94.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.664 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -59.2 -49.51 77.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.457 177.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -61.92 -38.88 90.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.148 -175.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.33 -48.45 80.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.281 0.562 . . . . 0.0 110.185 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.43 -37.57 90.3 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.587 HG11 ' OE2' ' A' ' 75' ' ' GLU . 48.3 t -56.47 -47.56 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -65.18 -36.48 84.33 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.299 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.27 -41.83 93.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.263 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -62.68 -39.43 93.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.645 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.49 -44.08 97.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.719 0.295 . . . . 0.0 110.659 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -66.31 -37.97 86.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.24 77.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.79 76.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.121 0.486 . . . . 0.0 110.656 176.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -74.07 -31.52 62.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.14 176.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -82.07 -2.25 51.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.336 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.59 110.5 4.85 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.164 0.507 . . . . 0.0 110.468 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -83.3 20.23 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.626 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 14.7 t-20 -164.78 126.35 1.46 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.633 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.09 -37.62 82.94 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.206 2.604 . . . . 0.0 113.196 -175.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.478 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 30.3 mt-10 -62.04 -43.99 97.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.491 0.662 . . . . 0.0 110.328 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -61.76 -39.08 90.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.986 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -66.31 -36.74 83.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.945 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.44 -41.77 81.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.801 0.334 . . . . 0.0 110.36 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.8 t -60.08 -51.18 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.389 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.35 -42.2 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.523 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.4 -43.78 96.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.836 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.799 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -60.74 -44.53 96.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.299 177.526 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.479 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 77.6 mt -61.35 -42.98 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.07 176.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.42 -48.06 77.76 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.226 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.98 -44.27 97.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.504 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 19.8 m-20 -65.58 -42.05 92.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.555 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 12.2 mm-40 -66.13 -43.21 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.219 -0.301 . . . . 0.0 110.379 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.587 ' OE2' HG11 ' A' ' 48' ' ' VAL . 18.2 mm-40 -58.54 -34.94 71.57 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.462 0.648 . . . . 0.0 110.205 174.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 33.0 ttmt -67.94 -44.34 77.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.379 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 65.4 m170 -58.5 -43.14 88.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.767 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.654 HG23 HG13 ' A' ' 41' ' ' VAL . 76.8 mt -56.25 -41.42 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.956 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.505 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 39.9 tt0 -64.4 -40.1 95.15 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.935 -178.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -60.34 -45.63 92.77 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.226 0.536 . . . . 0.0 110.312 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -69.46 -30.19 68.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.647 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 45.8 mtmt -62.91 -41.19 99.36 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.457 175.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.23 86.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.245 0.545 . . . . 0.0 110.396 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.78 -29.15 68.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.964 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.4 m -60.68 -29.24 69.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.904 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -70.2 -53.38 17.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.325 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -157.99 101.29 1.76 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.031 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.95 104.71 1.49 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.982 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -70.17 151.24 45.63 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.93 -39.38 74.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.661 -174.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mp0 -63.27 -49.98 71.95 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.052 0.453 . . . . 0.0 110.58 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -68.25 -32.66 73.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.074 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -68.14 -43.69 77.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.061 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.98 99.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.544 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.5 m -65.96 -40.04 90.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.816 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.68 -47.41 86.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.882 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.507 HG13 HD22 ' A' ' 18' ' ' LEU . 85.9 t -62.51 -46.76 95.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.676 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.17 -45.6 92.54 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.203 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.91 -37.88 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.419 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -63.45 -43.51 97.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.109 0.48 . . . . 0.0 109.749 177.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 15' ' ' ILE . 39.3 tp -57.4 -39.1 75.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.258 -178.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -57.06 -44.61 83.18 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.783 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.32 -41.72 72.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.996 0.427 . . . . 0.0 110.641 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.428 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 51.3 mm-40 -63.28 -40.85 98.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.501 -177.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 92.1 mt-30 -63.31 -32.76 74.26 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.906 0.384 . . . . 0.0 110.512 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 106' ' ' ARG . 0.4 OUTLIER -72.98 -35.72 66.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.74 178.182 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.405 ' O ' HG13 ' A' ' 111' ' ' ILE . 56.1 m170 -57.55 -52.31 65.93 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.584 HG13 HD11 ' A' ' 8' ' ' LEU . 97.1 t -58.56 -43.87 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.033 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.87 -43.31 77.01 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.388 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.579 ' HG3' ' HB2' ' A' ' 115' ' ' ASN . 5.1 tp10 -71.57 -48.14 50.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.79 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 107' ' ' HIS . 83.3 mt -60.08 -40.9 84.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.175 -175.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 108' ' ' VAL . 47.3 mt-10 -58.37 -26.77 63.54 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 111.424 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -101.17 25.08 8.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.476 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt 77.95 -1.46 2.58 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.957 170.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.579 ' HB2' ' HG3' ' A' ' 110' ' ' GLU . 91.9 m-20 . . . . . 0 C--N 1.32 -0.712 0 CA-C-O 118.681 -0.676 . . . . 0.0 110.843 -177.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 ttp . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.754 0.311 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -123.64 -24.14 4.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.495 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.493 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 9.6 tp10 64.07 83.78 0.16 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.838 0.828 . . . . 0.0 111.194 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.827 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.2 pt? -87.7 -22.93 24.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.935 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.5 ttm-85 -73.13 -44.14 60.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.827 -174.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.493 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 42.1 tt0 -62.6 -37.39 86.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.446 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.12 -36.97 78.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.378 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.804 HD11 HG13 ' A' ' 108' ' ' VAL . 27.1 tp -55.32 -34.26 64.03 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.351 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -57.49 -36.05 71.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.648 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.31 -45.53 90.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.945 -177.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -65.6 -43.39 89.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.238 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -67.75 -29.15 68.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.545 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -61.02 -43.84 98.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.0 110.324 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.567 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -72.14 -39.71 57.63 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.771 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.612 HG23 HD11 ' A' ' 101' ' ' LEU . 69.0 mt -58.38 -42.42 83.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.629 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -59.26 -46.28 88.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.007 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.557 ' O ' HG23 ' A' ' 21' ' ' VAL . 90.3 mt -62.18 -47.28 93.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.931 176.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.569 HD22 HG13 ' A' ' 97' ' ' VAL . 96.3 mt -58.46 -43.01 88.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.754 -176.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 13.3 mmmm -66.81 -34.56 78.09 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.99 0.424 . . . . 0.0 111.05 177.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.509 ' OE2' ' HE2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -68.5 -40.69 80.78 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.991 176.484 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 17' ' ' ILE . 99.1 t -61.0 -39.84 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.795 177.055 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.09 -38.28 79.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.961 0.41 . . . . 0.0 110.729 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -67.49 -50.38 59.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.94 0.876 . . . . 0.0 109.841 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.509 ' HE2' ' OE2' ' A' ' 20' ' ' GLU . 68.5 mttm -62.2 -25.08 67.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.204 -1.362 . . . . 0.0 111.888 -177.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.7 92.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.723 177.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.543 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 7.2 tmtt? -74.24 -37.76 63.7 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' OE2' ' HA ' ' A' ' 24' ' ' LYS . 40.0 mt-10 -57.67 -44.13 85.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.844 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.66 60.16 3.53 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.701 170.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 12.4 t70 -111.12 123.56 50.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -60.71 -51.33 69.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.655 -175.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -62.75 -40.83 98.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.628 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 7.1 tp10 -60.56 -49.71 76.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.525 177.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.536 HD23 HD12 ' A' ' 36' ' ' LEU . 93.1 mt -60.87 -40.37 92.71 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.245 -178.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.81 -43.37 98.99 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.048 0.451 . . . . 0.0 110.55 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -66.14 -39.37 89.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.278 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 92.4 mt -58.7 -47.3 85.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.231 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.574 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.9 t30 -57.37 -47.79 80.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.131 0.491 . . . . 0.0 109.973 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -37.63 88.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.411 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.06 -43.08 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.12 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 36' ' ' LEU . 76.2 mt -62.96 -45.15 99.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.479 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 37' ' ' ASN . 39.2 t -59.16 -45.34 92.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.006 0.431 . . . . 0.0 110.436 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -35.48 81.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.235 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.39 -47.48 76.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.668 0.271 . . . . 0.0 110.677 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.2 mm-40 -63.5 -43.55 96.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.21 176.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -58.8 -38.13 77.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.912 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -62.97 -47.6 82.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.448 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.464 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -70.05 -46.93 48.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.08 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.515 HG21 HD11 ' A' ' 78' ' ' ILE . 86.6 t -57.76 -36.43 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 0.0 111.305 -176.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -55.74 -49.06 74.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.556 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.3 t -70.93 -42.15 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.025 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.589 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 31.0 m-85 -58.56 -43.17 89.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.002 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -39.56 93.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.165 0.507 . . . . 0.0 109.855 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.4 -42.36 79.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.206 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.74 76.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.524 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.52 -33.93 70.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.959 0.409 . . . . 0.0 111.478 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -85.52 -11.7 53.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.023 0.44 . . . . 0.0 111.061 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -100.29 1.39 41.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.229 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.74 112.14 4.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.299 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -83.42 -2.43 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.037 -178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -133.32 124.53 18.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.048 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.13 -35.24 42.9 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.034 2.489 . . . . 0.0 113.478 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.55 -44.76 66.8 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.336 0.589 . . . . 0.0 109.898 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -63.3 -36.34 83.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.955 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.6 ttp85 -61.58 -38.98 89.54 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.554 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -39.98 96.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.389 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.5 -50.43 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.323 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.71 -41.56 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.741 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.71 -43.65 98.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.618 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -60.91 -44.02 97.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.465 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.0 mt -64.96 -40.99 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.589 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 2.7 mt -57.05 -40.68 77.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.855 178.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.75 -44.98 93.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.422 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 10.7 m-20 -69.81 -43.62 71.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.923 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.45 ' O ' HG13 ' A' ' 78' ' ' ILE . 24.5 mm-40 -62.77 -44.15 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -57.89 -42.3 84.34 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 121.037 0.446 . . . . 0.0 110.063 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HZ2' ' HB2' ' A' ' 76' ' ' LYS . 3.1 ttmp? -62.42 -42.78 99.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.196 178.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 66.7 m170 -57.28 -43.71 83.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.235 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.515 HD11 HG21 ' A' ' 48' ' ' VAL . 59.3 mt -56.41 -39.79 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.098 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -59.78 -41.98 92.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.73 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 30.5 m0 -60.84 -46.34 90.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.178 0.513 . . . . 0.0 110.683 -177.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -70.99 -33.51 70.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.495 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -64.48 -37.99 89.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.935 0.397 . . . . 0.0 110.506 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.11 89.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.145 179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.53 -35.67 73.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.638 176.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.5 m 67.09 -81.65 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.454 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -153.79 14.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.078 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -132.92 140.54 47.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.795 0.331 . . . . 0.0 110.679 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 178.01 154.42 12.44 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -73.53 142.4 46.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.64 -47.98 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.41 0.444 . . . . 0.0 111.696 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -61.97 -48.38 80.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.252 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -62.85 -42.31 99.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 97' ' ' VAL . 39.5 t80 -64.68 -43.98 91.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.4 -178.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.89 -35.31 80.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.1 t -68.44 -41.0 80.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.931 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.56 -46.31 90.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.12 0.486 . . . . 0.0 110.094 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.569 HG13 HD22 ' A' ' 18' ' ' LEU . 65.2 t -58.13 -45.09 88.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.88 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.75 -44.98 94.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.265 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -62.47 -41.0 98.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.348 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.524 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -66.3 -43.12 87.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.69 177.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 15' ' ' ILE . 57.5 tp -56.57 -46.12 80.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.906 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -56.73 -44.35 81.58 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.454 -178.396 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' A' ' 106' ' ' ARG . 2.9 t70 -67.89 -39.25 83.7 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.45 -176.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.47 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 41.4 mm-40 -66.21 -36.56 83.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 44.3 mt-30 -66.14 -35.91 81.73 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.531 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 68.2 mtt180 -62.33 -37.2 84.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.943 0.401 . . . . 0.0 110.33 175.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.456 ' O ' HG13 ' A' ' 111' ' ' ILE . 52.9 m170 -64.3 -41.76 96.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.736 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.804 HG13 HD11 ' A' ' 8' ' ' LEU . 97.8 t -64.51 -39.9 87.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 175.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 71.5 mm-40 -56.85 -44.98 82.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.893 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 16.1 mm-40 -71.17 -31.07 67.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.472 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 107' ' ' HIS . 71.4 mt -72.78 -49.17 42.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.16 -50.6 60.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 94.9 mttt 47.02 103.12 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -61.89 102.99 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.552 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.5 t30 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 117.977 -1.011 . . . . 0.0 111.495 175.832 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 121.072 0.463 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.36 -11.21 56.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.751 -174.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -82.59 7.16 15.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.229 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' HG ' ' HG2' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -112.3 -73.81 0.66 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.95 0.405 . . . . 0.0 110.726 -174.259 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -60.94 -45.34 95.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.334 -173.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -73.23 -32.19 64.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.863 0.363 . . . . 0.0 110.981 -177.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.92 -42.39 94.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.336 0.589 . . . . 0.0 110.025 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.603 HD11 HG13 ' A' ' 108' ' ' VAL . 22.0 tp -58.69 -36.2 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.072 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 49.9 mtpt -57.29 -35.52 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.915 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.49 86.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.505 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.26 -44.37 97.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.102 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 93.7 mt-30 -59.35 -42.91 92.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -61.19 -43.84 98.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.779 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.581 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.14 -43.96 92.16 Favored Glycine 0 C--O 1.224 -0.509 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.155 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.519 HG23 HD11 ' A' ' 101' ' ' LEU . 62.4 mt -58.65 -41.38 82.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.157 0.503 . . . . 0.0 110.551 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -58.32 -48.14 81.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.023 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 21' ' ' VAL . 79.8 mt -65.15 -40.56 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.15 177.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.631 HD22 HG13 ' A' ' 97' ' ' VAL . 94.0 mt -60.17 -41.42 92.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.605 0.241 . . . . 0.0 110.952 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -65.11 -38.54 91.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.149 0.499 . . . . 0.0 110.807 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.13 -38.59 82.38 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.259 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.4 t -71.76 -39.7 68.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.644 176.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.0 tp -59.03 -37.21 76.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.191 0.52 . . . . 0.0 110.018 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -61.92 -50.01 73.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.785 175.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.547 ' HD3' HD11 ' A' ' 36' ' ' LEU . 57.9 mttm -68.33 -24.16 64.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.376 -177.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.94 67.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.146 0.498 . . . . 0.0 110.353 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -76.25 -33.8 59.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.079 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -62.32 -47.13 85.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.795 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.96 54.92 3.45 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.497 -0.774 . . . . 0.0 113.36 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.647 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.1 t70 -102.47 110.6 22.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 173.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -53.98 -55.13 29.99 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.226 -173.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -67.6 -41.32 84.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -175.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.8 tt0 -64.05 -38.59 91.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.579 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 71.3 mt -57.0 -44.42 82.74 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.5 -36.74 84.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.288 0.566 . . . . 0.0 110.587 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 ttt85 -65.8 -45.8 81.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.471 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD11 ' HD3' ' A' ' 24' ' ' LYS . 85.6 mt -59.47 -39.23 83.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.588 176.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.41 -48.11 74.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.176 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.91 -36.18 82.66 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.035 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.8 -41.23 99.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.437 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 36' ' ' LEU . 75.4 mt -61.0 -48.31 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.655 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.14 -38.3 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.617 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.93 -43.18 95.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.888 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.35 82.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mm-40 -60.2 -42.77 95.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.42 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.06 -40.2 84.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.924 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -65.29 -46.95 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 0.0 110.282 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.52 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -58.83 -40.93 95.74 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.408 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.476 HG13 HD21 ' A' ' 71' ' ' LEU . 43.7 t -56.09 -39.05 56.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.866 0.365 . . . . 0.0 111.097 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.94 -41.59 95.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.8 t -65.72 -46.53 88.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.863 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.619 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 49.5 m-85 -62.44 -41.24 98.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.202 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -59.1 -45.25 91.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.248 0.547 . . . . 0.0 109.936 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -43.04 99.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.567 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.19 -33.79 63.54 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.33 75.55 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -83.77 4.65 28.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.977 0.418 . . . . 0.0 111.153 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -99.11 -13.15 19.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.447 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.44 94.78 3.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.535 -172.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -70.9 -34.83 71.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.222 170.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 20.7 t-20 -83.59 126.02 72.22 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.25 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 34.4 Cg_exo -60.64 -37.33 80.31 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.309 2.673 . . . . 0.0 113.267 -176.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -62.71 -43.31 99.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.789 0.328 . . . . 0.0 110.826 -179.701 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.61 -40.72 97.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.426 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.13 -50.85 71.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 65' ' ' GLN . 6.5 tp60 -61.84 -46.72 88.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.525 -174.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.42 -52.72 57.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.927 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.26 -44.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.04 -48.28 79.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.23 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.942 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -70.96 -36.36 72.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.55 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.49 -38.49 82.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.619 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -56.45 -47.03 80.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.147 175.442 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.82 -40.74 85.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.88 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 9.0 m-20 -63.6 -40.09 96.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -68.03 -37.48 81.4 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.163 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 60.6 mm-40 -57.95 -41.01 81.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.87 0.843 . . . . 0.0 109.65 173.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 32.4 ttmt -63.89 -35.9 82.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.061 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -66.71 -41.77 87.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.727 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.38 -39.33 85.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.194 0.521 . . . . 0.0 109.733 175.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -60.79 -42.16 97.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.779 176.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.429 ' HB3' HD11 ' A' ' 96' ' ' LEU . 50.4 m0 -62.48 -45.57 92.44 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.868 0.366 . . . . 0.0 110.621 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.544 ' HA ' HD21 ' A' ' 96' ' ' LEU . 6.1 m80 -65.41 -45.75 82.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.296 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -62.98 -34.91 78.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 0.0 111.366 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 86' ' ' LYS . . . -71.39 -50.56 30.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.474 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.01 70.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -173.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.3 m -78.92 71.02 5.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.962 0.41 . . . . 0.0 111.538 -173.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 83' ' ' ALA . 48.2 mttp -139.93 -52.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.213 176.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.13 -46.35 1.23 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.158 -177.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.95 131.71 39.81 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.866 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -136.99 176.24 8.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.772 -0.084 . . . . 0.0 110.772 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 48.62 -89.59 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.234 1.014 . . . . 0.0 113.608 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -61.16 -49.42 77.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.964 0.411 . . . . 0.0 111.27 -176.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.79 -30.31 68.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.25 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.95 -48.05 72.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.423 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.82 88.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.8 m -62.86 -40.59 97.94 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.812 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.544 HD21 ' HA ' ' A' ' 81' ' ' HIS . 57.7 tp -62.61 -47.49 83.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.526 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.631 HG13 HD22 ' A' ' 18' ' ' LEU . 89.0 t -66.56 -37.94 80.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.25 -178.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -64.88 -41.38 95.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.639 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 99' ' ' GLN . 9.9 mm-40 -67.47 -38.22 84.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.392 . . . . 0.0 110.868 176.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.455 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 21.0 t-160 -61.24 -45.13 95.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.763 176.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.519 HD11 HG23 ' A' ' 15' ' ' ILE . 49.3 tp -58.41 -42.02 86.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.12 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -44.62 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.654 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -46.07 65.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.92 0.39 . . . . 0.0 110.659 -178.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 31.4 mm-40 -62.81 -33.66 75.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.115 -176.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -64.13 -35.77 81.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.128 0.489 . . . . 0.0 110.127 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -70.72 -35.12 72.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.326 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -59.82 -50.26 74.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.852 177.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.603 HG13 HD11 ' A' ' 8' ' ' LEU . 94.8 t -58.66 -45.16 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.25 -46.49 82.98 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.503 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.9 -46.12 58.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.538 -175.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.425 ' HB ' HD13 ' A' ' 8' ' ' LEU . 85.7 mt -59.26 -36.84 65.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.738 0.304 . . . . 0.0 111.619 -176.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.19 -26.42 60.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.801 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -83.07 90.94 7.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.23 0.538 . . . . 0.0 110.856 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.431 ' HG2' ' HG ' ' A' ' 4' ' ' LEU . 96.0 mttt -73.1 128.03 34.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.148 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.959 -0.543 . . . . 0.0 109.803 173.96 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -82.01 -27.73 32.95 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 173.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' CD ' ' HZ1' ' A' ' 63' ' ' LYS . 38.8 tt0 74.31 -77.12 0.06 Allowed 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 114.047 -1.433 . . . . 0.0 112.281 173.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.2 mt -54.53 -54.33 42.54 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -170.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -33.46 67.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.733 0.302 . . . . 0.0 111.102 -176.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.68 -43.1 73.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.083 0.468 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.477 HD11 ' CZ ' ' A' ' 51' ' ' TYR . 22.0 tp -67.22 -44.97 78.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.78 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.582 HD11 HG13 ' A' ' 108' ' ' VAL . 30.7 tp -62.19 -47.21 85.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.449 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.91 -36.38 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.16 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.05 -46.07 79.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.954 0.407 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -66.38 -39.44 89.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.753 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -68.59 -32.45 72.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.061 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -68.5 -40.92 80.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.854 177.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.91 -40.62 95.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.455 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.593 HG23 HD11 ' A' ' 101' ' ' LEU . 67.2 mt -58.91 -45.16 92.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.569 0.223 . . . . 0.0 110.419 174.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -58.79 -45.39 89.96 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 21' ' ' VAL . 75.0 mt -60.8 -44.98 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.856 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.589 HD22 HG13 ' A' ' 97' ' ' VAL . 96.1 mt -63.38 -38.64 91.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.698 0.285 . . . . 0.0 111.047 177.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 7.0 mmpt? -62.75 -38.53 90.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.028 0.442 . . . . 0.0 110.471 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 8.9 tp10 -65.21 -46.66 79.79 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.653 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.56 ' HA ' HD13 ' A' ' 36' ' ' LEU . 60.6 t -61.61 -40.1 85.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.949 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.52 -41.0 98.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.028 0.442 . . . . 0.0 110.257 177.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -61.81 -51.25 69.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.009 0.909 . . . . 0.0 110.004 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.739 ' HD2' HD11 ' A' ' 36' ' ' LEU . 60.5 mttm -69.75 -21.97 63.4 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.623 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.23 -28.16 69.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.222 0.534 . . . . 0.0 110.232 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.6 -28.57 58.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.716 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 7.4 mm-40 -54.36 -49.65 69.31 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.966 0.413 . . . . 0.0 110.577 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.0 -5.45 50.22 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.467 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -85.8 123.96 31.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.258 0.529 . . . . 0.0 110.391 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.03 -30.28 58.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.235 -173.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -69.54 -41.36 76.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.022 0.439 . . . . 0.0 110.655 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 12.8 tt0 -62.48 -38.94 91.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.133 177.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.48 -39.02 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.684 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.98 87.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.108 0.48 . . . . 0.0 110.477 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 4.8 tpm_? -59.24 -49.93 75.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.009 174.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.739 HD11 ' HD2' ' A' ' 24' ' ' LYS . 90.0 mt -62.34 -35.89 80.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.703 -178.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -55.15 -44.54 75.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.036 0.446 . . . . 0.0 110.393 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.81 -38.88 87.33 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.799 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.494 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 12.0 tp10 -65.78 -35.13 79.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.317 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.499 HD11 HG21 ' A' ' 21' ' ' VAL . 77.9 mt -63.29 -46.52 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.316 176.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 62.1 t -58.37 -42.97 85.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.199 176.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 39' ' ' GLU . 50.7 mtpt -60.37 -43.68 96.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.467 177.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.55 80.54 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 111.123 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.6 mm-40 -62.65 -42.58 99.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.288 178.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -59.81 -44.06 94.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.492 178.314 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.19 -42.17 99.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.186 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.71 96.0 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.896 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.744 HG13 HD21 ' A' ' 71' ' ' LEU . 70.7 t -57.26 -38.57 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.747 0.308 . . . . 0.0 110.913 177.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.63 -42.79 89.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.068 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.0 t -70.9 -43.21 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 49.4 m-85 -61.06 -41.67 97.05 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.142 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.94 -41.95 92.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.929 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -46.7 87.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.336 177.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.74 -33.31 68.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.754 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.6 -36.67 79.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.989 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -77.64 -19.87 54.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.559 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -93.43 12.99 23.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.943 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.013 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . . . -64.23 118.52 8.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -88.06 -10.56 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.11 0.481 . . . . 0.0 110.344 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' ND2' ' HD2' ' A' ' 61' ' ' PRO . 25.5 t-20 -161.15 138.83 6.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.743 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HD2' ' ND2' ' A' ' 60' ' ' ASN . 3.5 Cg_endo -47.49 -32.08 14.83 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 124.337 3.358 . . . . 0.0 114.826 -175.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -57.06 -38.71 73.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.158 0.504 . . . . 0.0 111.018 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 1.013 ' HD3' ' HA ' ' A' ' 58' ' ' ALA . 64.7 tttp -64.65 -36.77 85.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.33 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.564 ' HE ' ' HB2' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -66.61 -42.14 87.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 -178.624 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -58.62 -43.05 89.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.547 0.213 . . . . 0.0 111.266 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.08 -50.72 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.564 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 93.7 mt -62.23 -46.26 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.863 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.564 ' HB2' ' HE ' ' A' ' 64' ' ' ARG . 20.3 t70 -60.4 -49.01 79.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.488 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 1.015 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 9.1 mmpt? -65.58 -43.83 88.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.604 -176.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.472 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 68.8 mt -65.52 -40.63 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.323 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.744 HD21 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -57.6 -46.38 84.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.559 177.033 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -65.69 -37.32 86.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.56 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 6.7 m-20 -61.94 -38.6 89.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.688 174.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 37.5 mm-40 -67.24 -42.24 84.31 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 54.3 mm-40 -57.97 -40.54 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.356 0.598 . . . . 0.0 110.106 174.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.6 ttpt -58.58 -40.55 83.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.89 176.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -64.38 -41.27 96.78 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.663 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.7 HG22 ' HE3' ' A' ' 82' ' ' LYS . 44.1 mt -67.02 -37.37 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.428 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.86 -42.13 71.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.271 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.434 ' HB3' HD11 ' A' ' 96' ' ' LEU . 39.5 m0 -65.12 -45.13 86.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -69.22 -29.76 67.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.83 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 78' ' ' ILE . 95.8 mttt -59.36 -40.89 87.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.825 0.345 . . . . 0.0 110.47 175.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.97 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.931 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.76 -30.06 68.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.009 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.3 m -75.49 71.32 2.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -168.52 -63.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.091 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -119.49 112.04 18.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.524 0.678 . . . . 0.0 109.457 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -86.45 89.64 1.63 Allowed Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.697 -0.764 . . . . 0.0 113.18 -173.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -90.79 111.82 23.37 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 171.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.65 -40.94 84.86 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -174.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.34 -48.82 76.39 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.767 0.318 . . . . 0.0 111.218 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -64.5 -40.67 96.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.656 177.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -65.95 -45.77 80.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.719 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.96 90.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.794 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -67.65 -38.2 83.5 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.389 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 80' ' ' TRP . 56.4 tp -61.87 -47.24 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.385 177.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.589 HG13 HD22 ' A' ' 18' ' ' LEU . 72.0 t -62.25 -37.64 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.205 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.52 -41.91 96.1 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.695 0.283 . . . . 0.0 111.015 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -69.5 -40.75 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -58.98 -41.15 86.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.859 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 15' ' ' ILE . 52.6 tp -57.7 -47.37 82.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.393 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.46 -44.76 80.85 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.534 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.24 -44.82 90.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.237 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -63.64 -38.03 89.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.48 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -62.08 -37.48 85.2 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.403 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 106' ' ' ARG . 15.9 tpt180 -71.89 -32.64 67.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.275 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -61.43 -46.25 90.89 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.582 HG13 HD11 ' A' ' 8' ' ' LEU . 84.8 t -62.26 -40.55 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.536 176.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -57.67 -41.83 82.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.175 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -46.68 88.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.039 0.447 . . . . 0.0 110.025 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.71 -50.75 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -174.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -66.94 -32.47 73.74 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.923 1.082 . . . . 0.0 113.923 -166.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 25.81 11.0 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.283 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -100.91 161.64 13.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.651 172.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.982 179.442 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 120.596 0.236 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.27 -46.32 89.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.087 0.47 . . . . 0.0 110.08 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD11 HG13 ' A' ' 108' ' ' VAL . 36.7 tp -62.36 -46.28 89.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.362 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -58.32 -36.06 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.568 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.57 -46.11 87.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.947 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.94 -42.19 94.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.172 177.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -61.21 -39.33 89.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.093 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -62.0 -44.15 97.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.201 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.12 -42.26 94.54 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.776 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.541 HG23 HD11 ' A' ' 101' ' ' LEU . 68.1 mt -58.55 -43.37 86.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.88 0.371 . . . . 0.0 110.489 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -59.18 -47.99 83.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.104 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.57 HD13 ' HG3' ' A' ' 39' ' ' GLU . 95.1 mt -62.88 -44.67 99.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.085 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.9 mt -58.51 -45.34 89.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.881 0.372 . . . . 0.0 110.989 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -64.65 -35.89 82.49 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 121.273 0.559 . . . . 0.0 110.646 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.02 -44.98 78.89 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.205 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.549 HG13 HD13 ' A' ' 36' ' ' LEU . 95.4 t -63.91 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.248 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.32 -39.81 84.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.098 0.475 . . . . 0.0 110.741 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -65.23 -50.85 64.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.757 0.789 . . . . 0.0 109.392 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 49.6 mttm -65.86 -22.58 66.54 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.722 -176.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.68 74.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.279 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 31.0 mmtm -76.56 -29.05 56.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.329 175.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' OE1' ' HG2' ' A' ' 24' ' ' LYS . 98.3 mt-10 -58.63 -40.2 82.68 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 173.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.98 58.61 4.68 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.533 -0.758 . . . . 0.0 114.471 168.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.584 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.2 t70 -122.84 131.55 53.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.019 0.41 . . . . 0.0 110.399 171.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -61.16 -48.48 81.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.526 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -62.4 -41.78 98.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.307 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.7 tp10 -60.08 -47.54 85.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.455 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 88.8 mt -59.32 -42.16 90.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.615 0.245 . . . . 0.0 111.282 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.5 98.3 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.118 0.485 . . . . 0.0 110.476 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -59.93 -47.49 85.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.834 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 96.3 mt -59.04 -46.02 89.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.494 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 41' ' ' VAL . 67.1 t30 -60.01 -44.55 94.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.2 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -63.79 -37.27 86.74 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.43 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.57 ' HG3' HD13 ' A' ' 17' ' ' ILE . 5.9 tp10 -60.79 -45.17 95.45 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.273 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.458 HD11 HG21 ' A' ' 21' ' ' VAL . 70.6 mt -64.32 -50.68 75.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.858 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 37' ' ' ASN . 79.4 t -57.53 -44.78 85.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.036 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.62 -43.22 93.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.131 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.6 -47.82 65.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.4 mm-40 -59.97 -43.51 95.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.02 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -62.23 -42.03 98.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.383 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -66.39 -38.26 87.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.114 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.45 -45.42 94.44 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.998 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 44' ' ' GLU . 66.3 t -57.62 -39.96 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.072 0.463 . . . . 0.0 110.688 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.41 -44.7 95.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.762 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.21 -45.45 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -64.71 -34.94 79.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.56 ' HE2' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -62.45 -43.65 98.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.008 0.432 . . . . 0.0 110.074 175.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.6 -46.52 89.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.025 176.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.82 76.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.701 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.42 88.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.266 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -74.54 -30.04 61.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.275 0.559 . . . . 0.0 110.017 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -89.48 10.53 22.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.22 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.17 123.74 22.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.481 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.418 ' H ' ' HG2' ' A' ' 59' ' ' ARG . 8.5 ptt180 -70.69 -47.61 58.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.527 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.67 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 2.0 m-20 -108.84 139.07 20.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.34 -27.49 84.96 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.477 2.118 . . . . 0.0 111.025 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.85 -45.59 93.14 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.228 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.67 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 60.6 mmtt -73.92 -32.18 63.42 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.842 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -64.53 -36.32 83.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -54.56 -47.48 73.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.977 0.417 . . . . 0.0 110.619 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.8 -49.18 84.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.506 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.28 -46.09 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.033 0.444 . . . . 0.0 111.139 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.92 -39.39 91.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.429 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.02 -47.64 85.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.466 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.71 -37.3 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.653 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.471 HD11 ' HA ' ' A' ' 52' ' ' LYS . 6.5 mt -55.14 -45.25 75.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.275 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -69.24 -41.07 77.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.925 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 5.7 m-20 -66.19 -38.29 87.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.24 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.438 ' O ' HG13 ' A' ' 78' ' ' ILE . 49.7 mm-40 -70.56 -40.46 73.35 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.497 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.8 -41.57 82.42 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 121.2 0.524 . . . . 0.0 109.592 172.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 36.9 ttmt -58.07 -43.0 86.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.582 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 65.6 m170 -62.65 -45.2 93.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.551 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.1 mt -57.51 -39.95 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.508 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.9 -41.74 92.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.332 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -64.47 -45.83 85.69 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.194 0.521 . . . . 0.0 110.884 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -69.63 -29.4 66.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.449 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -59.24 -38.2 79.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.535 172.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.09 -40.24 78.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.418 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.781 177.076 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.46 -45.7 93.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.009 0.433 . . . . 0.0 111.062 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.54 -39.86 92.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.065 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 97' ' ' VAL . 71.6 t80 -62.61 -47.65 82.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.464 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.03 85.39 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.7 m -67.84 -40.11 83.75 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.718 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.18 -47.36 86.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.144 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 93' ' ' PHE . 90.0 t -58.78 -47.29 89.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.25 -36.91 84.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.197 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -69.79 -42.97 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -58.98 -39.47 81.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.671 176.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.541 HD11 HG23 ' A' ' 15' ' ' ILE . 55.6 tp -56.94 -46.89 81.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.825 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.578 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 16.6 mm-40 -58.69 -39.23 80.16 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.435 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -63.13 -49.51 74.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.257 0.551 . . . . 0.0 110.36 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.438 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 41.5 mm-40 -63.86 -34.59 78.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.166 -177.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 95.6 mt-30 -63.64 -36.49 84.01 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.797 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 62.6 mtt180 -63.91 -43.45 95.92 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 175.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -58.63 -49.22 78.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.003 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.472 HG13 HD11 ' A' ' 8' ' ' LEU . 56.1 t -60.74 -43.57 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.373 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -57.29 -42.97 82.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.2 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.66 -41.55 68.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.857 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.2 mt -72.82 -39.38 59.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.3 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.364 0.602 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.52 -43.6 72.72 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.699 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.662 HD11 HG13 ' A' ' 108' ' ' VAL . 32.5 tp -58.53 -42.72 88.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.288 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -61.27 -35.85 78.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.819 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.41 93.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.602 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.4 mm-40 -62.98 -48.01 80.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.422 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.73 -27.43 67.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.289 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -44.8 83.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.365 0.603 . . . . 0.0 109.694 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.84 -34.84 72.14 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.322 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 11' ' ' GLU . 74.7 mt -57.77 -40.26 74.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.62 0.248 . . . . 0.0 110.692 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.661 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 12.7 tmtt? -60.13 -48.16 82.9 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 21' ' ' VAL . 78.8 mt -64.26 -41.56 92.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.104 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 101' ' ' LEU . 97.3 mt -60.63 -39.26 87.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.819 0.343 . . . . 0.0 110.851 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.518 ' HG2' HD11 ' A' ' 101' ' ' LEU . 2.7 mmpt? -64.76 -35.0 79.66 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.195 0.522 . . . . 0.0 110.685 175.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.661 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 5.5 mm-40 -69.32 -47.43 64.49 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.262 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 17' ' ' ILE . 47.5 t -65.84 -38.74 82.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.4 -37.14 74.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.847 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 70.9 tttt -71.32 -51.72 22.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.696 0.76 . . . . 0.0 110.24 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.463 ' CD ' HD11 ' A' ' 36' ' ' LEU . 97.5 mttt -61.84 -23.31 66.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.21 -1.359 . . . . 0.0 112.407 -176.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.537 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -60.39 -43.97 96.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.394 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HE3' ' HB2' ' A' ' 26' ' ' LYS . 18.6 ptmt -76.37 -28.21 56.71 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.805 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.09 -37.49 82.89 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 109.955 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.31 48.03 5.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.932 -0.652 . . . . 0.0 114.506 167.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 32' ' ' GLU . 13.6 t70 -107.64 110.17 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 171.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.34 -29.38 68.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.086 -172.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -71.3 -43.65 66.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.577 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 4.1 mm-40 -62.69 -41.66 99.22 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.642 174.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 81.3 mt -58.99 -47.39 85.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.435 0.16 . . . . 0.0 111.272 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.19 91.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.185 0.517 . . . . 0.0 110.377 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -64.3 -41.19 96.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.35 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 98.2 mt -67.58 -41.93 83.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.949 177.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -60.6 -44.66 96.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -43.35 86.94 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.797 172.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.64 -45.79 90.94 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.728 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 36' ' ' LEU . 86.3 mt -60.65 -50.57 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.04 -37.58 77.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.978 0.418 . . . . 0.0 110.486 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -58.88 -46.63 87.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.462 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.42 -47.16 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.228 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.5 mm-40 -59.13 -44.95 92.05 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -59.04 -41.49 87.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.368 178.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -67.68 -41.55 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.912 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.522 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -61.48 -45.82 95.59 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.972 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 44' ' ' GLU . 67.6 t -56.55 -38.79 58.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.755 0.312 . . . . 0.0 110.906 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -62.81 -41.41 99.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.829 0.347 . . . . 0.0 111.008 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.48 -41.85 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.116 0.484 . . . . 0.0 110.491 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 52.7 m-85 -70.18 -37.61 75.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.395 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 52' ' ' LYS . 30.4 mmtp -60.36 -35.18 75.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.518 176.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.4 -51.24 61.69 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.646 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.44 68.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.167 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.56 84.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.707 0.289 . . . . 0.0 111.657 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -86.91 4.39 41.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.93 0.395 . . . . 0.0 110.988 -177.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -128.58 14.11 6.5 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.629 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.38 134.97 38.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.037 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -101.98 -1.65 31.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.692 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -127.08 121.03 22.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -51.92 -44.76 43.03 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.344 2.696 . . . . 0.0 113.068 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 66' ' ' VAL . 22.8 mp0 -62.94 -44.65 95.49 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.397 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -72.54 -32.24 65.94 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.714 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -61.04 -39.69 90.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.189 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -66.21 -37.71 86.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.449 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 62' ' ' GLU . 57.6 t -59.95 -45.96 94.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.408 175.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.402 HG23 ' HD2' ' A' ' 51' ' ' TYR . 72.5 mt -61.59 -43.1 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.425 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.7 -38.27 90.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.403 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -59.91 -45.83 91.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.187 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.71 -39.12 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.034 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.495 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 14.3 mt -57.24 -40.32 77.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 173.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -67.64 -44.77 77.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.883 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 19.5 m-20 -65.02 -44.82 87.93 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.091 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.429 ' O ' HG13 ' A' ' 78' ' ' ILE . 57.9 mm-40 -67.86 -42.39 81.41 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.015 -178.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.15 -44.07 87.68 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 33.8 ttmt -58.21 -41.77 84.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.012 176.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 51.1 m170 -59.24 -46.26 88.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.642 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 74' ' ' GLU . 67.6 mt -58.59 -40.12 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.204 177.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.47 -41.81 77.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.501 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -64.37 -46.45 83.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.212 0.53 . . . . 0.0 110.433 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -70.63 -31.82 68.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.354 -175.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 49.4 mtmt -68.74 -38.54 80.23 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.572 177.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.07 -32.28 68.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 177.161 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.43 -43.91 98.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.918 0.389 . . . . 0.0 111.27 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -67.43 -35.99 80.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.816 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 97' ' ' VAL . 69.6 t80 -66.81 -39.42 87.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.292 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.9 85.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.662 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.2 t -69.92 -36.29 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.059 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.36 -48.09 83.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.549 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 93' ' ' PHE . 59.8 t -63.45 -40.83 90.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.591 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.21 -45.72 87.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.67 -42.52 91.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.462 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.454 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 3.8 t-160 -61.13 -47.34 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.104 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.518 HD11 ' HG2' ' A' ' 19' ' ' LYS . 4.1 tt -57.98 -45.16 87.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.479 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.494 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 10.4 mm-40 -63.49 -36.22 83.05 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.598 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -69.06 -41.73 77.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.211 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.473 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 18.3 mm-40 -65.06 -36.27 83.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.614 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.443 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 60.2 tt0 -64.21 -44.64 91.32 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 175.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -62.53 -33.98 75.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.467 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.413 ' O ' HG13 ' A' ' 111' ' ' ILE . 61.4 m170 -62.91 -45.98 89.98 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 174.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.662 HG13 HD11 ' A' ' 8' ' ' LEU . 92.7 t -60.79 -46.03 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.373 . . . . 0.0 110.036 175.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 72.2 mm-40 -57.41 -38.14 73.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.242 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.81 -40.16 72.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.529 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 107' ' ' HIS . 70.9 mt -72.89 -35.83 50.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.348 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 . . . . . 0 C--N 1.332 -0.173 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.078 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.659 0.266 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.3 -50.09 75.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.102 0.477 . . . . 0.0 110.427 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.763 ' HG ' HE21 ' A' ' 12' ' ' GLN . 19.9 tp -70.43 -40.96 73.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.71 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -61.18 -36.95 81.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.4 97.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 110.263 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.09 -47.9 82.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.935 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.763 HE21 ' HG ' ' A' ' 8' ' ' LEU . 78.8 mt-30 -62.49 -38.07 88.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.01 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -61.88 -42.37 98.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.18 0.514 . . . . 0.0 110.089 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -65.2 -38.84 95.65 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.723 176.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.485 HG22 ' HE2' ' A' ' 19' ' ' LYS . 69.4 mt -60.67 -39.16 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.689 0.28 . . . . 0.0 110.728 176.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -59.08 -47.45 85.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.175 0.512 . . . . 0.0 109.746 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 21' ' ' VAL . 78.3 mt -61.61 -44.33 98.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.747 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.505 ' HB3' ' HG ' ' A' ' 101' ' ' LEU . 92.3 mt -58.49 -44.39 89.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 0.0 111.077 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.485 ' HE2' HG22 ' A' ' 15' ' ' ILE . 58.8 mtmt -66.7 -34.96 79.01 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.894 0.378 . . . . 0.0 110.802 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.93 -46.34 88.26 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.574 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.544 HG21 HD11 ' A' ' 40' ' ' ILE . 61.2 t -64.67 -40.02 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.564 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.52 -39.44 87.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.459 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 23' ' ' LYS . 14.0 tmtt? -62.38 -50.67 70.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.648 0.737 . . . . 0.0 109.568 174.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.1 -26.57 64.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.27 -1.332 . . . . 0.0 112.111 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.684 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -65.59 -25.98 67.64 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -71.87 -29.73 64.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.187 0.518 . . . . 0.0 110.388 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -92.8 -58.92 2.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.928 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.799 ' HA2' HD11 ' A' ' 33' ' ' LEU . . . 56.91 72.86 0.51 Allowed Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.389 -0.823 . . . . 0.0 114.265 173.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -87.33 -83.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.404 -0.519 . . . . 0.0 109.794 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.511 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 9.5 pt-20 -173.04 -58.95 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 175.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.511 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 15.9 mm-40 -60.49 -44.84 95.52 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -168.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.19 -42.77 88.4 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 120.729 0.299 . . . . 0.0 110.461 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.799 HD11 ' HA2' ' A' ' 28' ' ' GLY . 89.0 mt -63.51 -43.5 97.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.811 -179.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.8 81.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 35' ' ' ARG . 31.0 ttt180 -66.24 -46.42 77.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' ILE . 58.2 mt -60.92 -39.1 88.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.291 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 41' ' ' VAL . 40.1 t-20 -58.44 -48.79 79.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.143 0.497 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.952 HE21 ' HA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -67.78 -36.44 80.49 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.203 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.5 -42.46 99.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.462 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.544 HD11 HG21 ' A' ' 21' ' ' VAL . 93.5 mt -57.46 -49.3 80.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 176.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 37' ' ' ASN . 94.4 t -56.64 -48.79 80.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.891 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.5 -46.04 84.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.202 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.07 -48.8 74.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.883 -174.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 48' ' ' VAL . 24.2 tt0 -70.61 -39.49 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.793 -177.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.9 -38.06 86.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.915 0.388 . . . . 0.0 110.384 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -65.39 -42.25 92.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.845 175.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.414 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -60.98 -39.31 96.86 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.437 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 44' ' ' GLU . 92.3 t -56.66 -40.55 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.893 0.378 . . . . 0.0 110.605 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.02 -46.06 89.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.654 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.45 -40.17 87.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.763 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 17.8 m-85 -63.12 -43.84 97.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 176.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.55 81.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.385 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.96 -48.74 80.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.71 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . . . -72.81 -33.79 66.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.782 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.94 79.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 111.903 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.66 -16.32 57.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.835 0.35 . . . . 0.0 110.669 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 54' ' ' ALA . 52.6 mtmt -86.47 1.76 50.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.803 177.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.31 120.15 13.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -67.67 -41.47 83.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.689 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -93.67 127.18 46.9 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.526 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.15 -30.85 24.41 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.784 2.322 . . . . 0.0 113.632 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.69 -46.44 75.6 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.445 0.64 . . . . 0.0 110.741 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -72.71 -21.92 60.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -65.55 -42.16 92.18 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -38.48 80.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.367 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 70' ' ' ILE . 51.9 t -60.76 -47.06 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.444 177.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.94 -40.48 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.596 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.536 ' HA ' HD12 ' A' ' 71' ' ' LEU . 12.4 t70 -63.62 -37.61 87.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.323 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 69' ' ' LYS . 44.3 mtpt -65.62 -42.91 91.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.933 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 84.9 mt -58.56 -41.97 83.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 68' ' ' ASP . 52.2 mt -57.07 -43.17 81.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.798 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -65.31 -44.88 86.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.454 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.476 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 19.1 m-20 -61.66 -42.12 98.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.251 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 13.1 mm-40 -65.97 -39.12 90.1 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.465 177.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 28.3 mm-40 -57.45 -43.67 84.14 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.355 0.598 . . . . 0.0 110.111 173.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' NZ ' ' HA ' ' A' ' 73' ' ' ASP . 3.6 ttmp? -60.08 -38.71 83.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.909 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.8 m170 -66.4 -48.23 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.246 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.12 -38.01 58.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.385 0.612 . . . . 0.0 110.322 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.77 -40.39 96.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.117 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -61.11 -45.01 96.43 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -67.68 -29.62 68.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.874 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -62.2 -42.5 99.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.35 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 110.456 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.411 177.55 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -62.17 -48.6 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -175.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -67.02 -34.33 77.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.646 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.41 ' O ' HG23 ' A' ' 97' ' ' VAL . 7.9 t80 -69.09 -42.63 75.91 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.684 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -60.41 -39.41 87.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.599 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 23.8 t -60.89 -45.42 94.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.341 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.59 -47.79 84.66 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.107 0.479 . . . . 0.0 110.678 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 93' ' ' PHE . 95.6 t -61.6 -41.57 90.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.956 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.04 -45.61 92.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.914 0.388 . . . . 0.0 111.103 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 95' ' ' SER . 78.1 mt-30 -66.35 -35.98 81.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.943 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 6.0 t-160 -69.67 -42.77 73.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.583 176.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.505 ' HG ' ' HB3' ' A' ' 18' ' ' LEU . 1.2 mt -57.47 -45.49 84.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.141 -177.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -60.68 -38.05 83.65 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.781 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -69.23 -40.61 77.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 0.0 110.018 -179.087 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.442 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 47.8 mm-40 -67.81 -37.53 82.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.096 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -62.52 -35.63 80.02 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.27 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 103' ' ' ASP . 38.4 ttm180 -64.67 -40.82 96.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.482 174.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.401 ' O ' HG13 ' A' ' 111' ' ' ILE . 57.6 m170 -61.01 -51.24 70.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.169 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.84 -41.92 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.382 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -56.95 -43.28 81.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.391 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.15 -50.08 37.21 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.519 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 107' ' ' HIS . 79.8 mt -62.57 -36.71 76.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 111.972 -175.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.88 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.74 0.305 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.7 tp -66.89 -43.14 84.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.096 0.474 . . . . 0.0 110.059 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 tp -60.27 -45.3 93.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.853 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.23 -41.94 98.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.694 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.08 92.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 110.789 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.74 -47.01 70.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.493 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.25 -28.45 69.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.497 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.39 -41.91 97.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.445 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.487 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.69 -41.96 98.82 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.198 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.02 -41.17 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.092 0.473 . . . . 0.0 110.365 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -59.41 -48.12 82.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.302 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 21' ' ' VAL . 82.3 mt -61.3 -45.34 98.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.942 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -58.27 -43.84 88.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.327 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 19.9 mmtp -66.22 -39.18 89.42 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.651 0.263 . . . . 0.0 111.079 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -64.38 -41.0 96.92 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.018 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.556 HG21 HD11 ' A' ' 40' ' ' ILE . 93.5 t -70.27 -42.41 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 tp -59.23 -37.2 76.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.541 . . . . 0.0 110.174 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -61.04 -50.2 74.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.031 176.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.751 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 4.9 mptp? -60.73 -32.8 72.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.809 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.68 75.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.883 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -75.27 -35.74 61.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.015 0.436 . . . . 0.0 110.188 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.54 -35.1 79.39 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.578 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.71 42.53 5.39 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.229 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.566 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.7 t0 -106.32 100.05 9.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.344 0.592 . . . . 0.0 109.653 176.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.79 -38.54 86.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.043 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -65.37 -38.02 88.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.181 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.751 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 4.7 tp10 -67.17 -42.96 83.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.432 175.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 87.0 mt -59.16 -46.15 89.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.43 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.64 83.26 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.191 0.519 . . . . 0.0 110.653 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.54 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 31.1 ttt180 -67.66 -47.17 70.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.411 176.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.544 ' O ' HG13 ' A' ' 40' ' ' ILE . 92.4 mt -60.04 -44.74 94.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.531 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -58.02 -42.42 85.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 110.565 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -43.15 98.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.683 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -66.6 -38.5 87.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.654 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.556 HD11 HG21 ' A' ' 21' ' ' VAL . 82.4 mt -59.24 -50.27 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.671 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.3 t -59.55 -49.9 81.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 42' ' ' LYS . 53.0 mtpt -59.44 -45.94 90.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 111.242 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.88 -48.61 62.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.081 -175.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 48' ' ' VAL . 24.0 tt0 -70.33 -38.16 74.85 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.762 -177.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -59.39 -37.38 77.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.856 0.36 . . . . 0.0 110.206 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -64.63 -39.62 94.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.822 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.95 -41.45 87.77 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.728 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 44' ' ' GLU . 62.5 t -62.24 -35.99 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.982 0.42 . . . . 0.0 110.582 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -58.86 -41.72 87.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.043 175.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.96 -37.8 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.456 175.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.439 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . 6.4 m-85 -58.25 -43.54 87.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 176.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.619 ' HA ' HD11 ' A' ' 71' ' ' LEU . 63.1 tttm -65.46 -43.09 91.44 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.14 -46.16 79.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.368 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.12 -36.82 64.21 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.92 87.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 15.8 pt-20 -93.87 5.51 51.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.53 0.681 . . . . 0.0 110.372 -177.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -127.7 15.39 6.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.14 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.88 141.6 38.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.906 -177.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -74.99 -29.07 60.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.615 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.711 ' HB2' ' HD3' ' A' ' 63' ' ' LYS . 14.1 m120 -132.98 144.6 53.51 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.345 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.81 -40.74 34.16 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.767 2.311 . . . . 0.0 112.269 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -60.31 -41.5 93.61 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.237 0.541 . . . . 0.0 110.342 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.711 ' HD3' ' HB2' ' A' ' 60' ' ' ASN . 14.1 mptt -70.34 -32.34 70.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.807 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -62.47 -42.43 99.47 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.029 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -54.36 -43.25 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.322 0.389 . . . . 0.0 110.584 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 70' ' ' ILE . 61.2 t -63.54 -51.11 74.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.802 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.38 -37.2 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.156 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.91 -40.24 94.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.838 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -60.68 -45.41 94.28 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.393 173.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 66' ' ' VAL . 81.1 mt -62.49 -39.27 83.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.402 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.619 HD11 ' HA ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -56.47 -49.45 74.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.962 175.448 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.39 -41.15 93.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.155 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -63.7 -51.05 66.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HB3' HG22 ' A' ' 48' ' ' VAL . 18.5 mm-40 -63.33 -39.94 95.95 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.947 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -58.27 -36.09 72.75 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.471 0.653 . . . . 0.0 110.338 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 29.2 ttmt -70.54 -40.69 73.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.679 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 57.3 m170 -59.83 -50.21 74.7 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.46 -37.24 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.591 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.49 -41.8 98.54 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -62.87 -46.3 88.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 110.423 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -70.42 -32.52 70.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.481 -178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.42 ' HD2' ' O ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -69.94 -36.9 75.65 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.634 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.53 84.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.944 0.402 . . . . 0.0 110.664 177.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.271 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.461 175.679 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.124 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.67 -48.82 79.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.099 0.476 . . . . 0.0 111.484 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -70.98 -38.68 72.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.611 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.65 -42.35 82.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.517 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.53 87.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.7 m -64.19 -39.16 93.41 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.416 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.54 -47.64 84.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.314 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.4 t -62.26 -40.93 89.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.09 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -62.84 -44.95 94.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.292 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -69.31 -33.37 73.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.691 0.281 . . . . 0.0 110.828 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -66.86 -41.46 87.27 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.12 -46.52 88.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.311 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -43.81 81.22 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -45.86 83.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.671 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 55.2 mm-40 -64.27 -38.4 90.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.717 -176.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -65.56 -33.16 75.27 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.146 0.498 . . . . 0.0 110.243 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -69.3 -33.65 73.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.266 177.515 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -63.67 -43.16 97.52 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -60.24 -40.63 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.762 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 106' ' ' ARG . 40.1 mt-10 -57.37 -36.21 70.93 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.119 176.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 106' ' ' ARG . 5.3 mm-40 -71.12 -48.14 53.93 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.227 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 64.2 mt -72.55 -40.44 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -173.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 . . . . . 0 C--N 1.328 -0.367 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -174.792 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.846 0.355 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.89 -46.64 77.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.858 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.84 HD11 HG13 ' A' ' 108' ' ' VAL . 26.3 tp -65.61 -40.23 92.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.406 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -57.77 -35.78 71.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.734 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.5 92.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.879 0.371 . . . . 0.0 110.733 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.76 -45.29 83.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.487 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.25 -29.38 70.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.946 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.694 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.39 -44.23 95.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.498 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -68.1 -41.3 87.32 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.897 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.94 -40.69 81.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 110.51 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.694 ' HE3' ' HA ' ' A' ' 13' ' ' GLN . 28.5 mtmt -58.91 -46.91 86.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.578 175.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.558 HD13 ' HG3' ' A' ' 39' ' ' GLU . 86.0 mt -64.13 -44.06 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.595 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -59.23 -47.1 86.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.608 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.681 ' HG2' HD11 ' A' ' 101' ' ' LEU . 90.4 mttt -66.74 -35.05 79.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.652 0.263 . . . . 0.0 110.957 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.54 -47.08 80.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 17' ' ' ILE . 87.2 t -64.4 -39.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 177.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 tp -59.52 -36.0 75.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.23 0.538 . . . . 0.0 110.359 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -66.45 -49.37 66.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.818 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -59.27 -23.37 62.34 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.939 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.76 -26.27 68.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.189 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HD2' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -73.48 -35.79 65.71 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.457 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.18 -47.11 59.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.819 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.62 56.9 4.03 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 114.025 171.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 16.5 t70 -101.16 119.14 38.32 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 171.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.87 -44.04 94.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -171.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -71.49 -41.62 69.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.324 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 8.5 tp10 -65.78 -41.43 92.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 64.8 mt -60.18 -43.14 96.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 111.167 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 37' ' ' ASN . . . -67.16 -35.65 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.36 0.6 . . . . 0.0 110.508 178.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.415 HH21 ' CD ' ' A' ' 32' ' ' GLU . 22.4 ttp180 -69.2 -39.42 78.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.57 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 92.2 mt -63.58 -33.44 75.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.761 175.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 34' ' ' ALA . 8.7 t30 -56.33 -43.45 79.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.629 176.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -41.36 83.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.771 176.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.558 ' HG3' HD13 ' A' ' 17' ' ' ILE . 9.4 tp10 -62.34 -41.09 98.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.673 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.7 mt -61.89 -50.32 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.694 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.64 -37.17 78.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.401 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -57.62 -46.9 83.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.644 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.79 -44.76 72.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.5 mm-40 -58.86 -46.51 87.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.47 -38.7 92.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.769 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.36 -40.68 93.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.168 0.508 . . . . 0.0 109.737 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.449 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -60.74 -46.96 93.45 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.21 176.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 44' ' ' GLU . 89.5 t -59.97 -40.3 82.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.982 0.42 . . . . 0.0 110.532 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -54.83 -47.68 73.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.505 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.0 t -72.28 -42.35 65.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.325 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.449 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 12.5 m-85 -61.33 -36.28 79.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.416 0.151 . . . . 0.0 111.219 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -59.87 -45.64 91.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.22 0.533 . . . . 0.0 109.831 174.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -63.27 -43.71 97.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.956 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.15 90.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.6 -37.68 87.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.936 0.398 . . . . 0.0 111.049 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -80.37 -20.12 44.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.601 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 43.5 mttm -78.16 -39.22 41.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.791 173.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.81 108.77 0.34 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.269 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 51.0 mtp85 -89.43 12.34 16.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.072 -176.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -139.62 126.32 12.46 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 174.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -60.32 -26.68 83.25 Favored 'Trans proline' 0 N--CA 1.473 0.323 0 C-N-CA 123.484 2.789 . . . . 0.0 114.692 -169.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -60.89 -47.74 85.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 111.5 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' O ' HG13 ' A' ' 67' ' ' ILE . 56.8 mtmt -77.63 -26.7 50.72 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.457 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -66.42 -36.9 83.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.15 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.08 -39.54 94.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.196 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.65 -42.96 96.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.038 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 63' ' ' LYS . 87.0 mt -62.32 -45.02 99.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.037 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.09 -41.3 96.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.223 0.535 . . . . 0.0 110.519 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.37 -45.56 88.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.504 176.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.445 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 78.3 mt -68.05 -39.11 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.765 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.69 -45.52 81.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.019 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 27.9 tt0 -63.41 -45.09 92.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.478 177.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -66.11 -38.77 89.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.656 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 35.1 mm-40 -68.1 -43.21 78.96 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.415 177.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 10.6 mm-40 -61.02 -35.08 75.92 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.698 0.761 . . . . 0.0 110.275 173.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 28.0 ttmt -63.68 -43.08 97.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.949 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -60.77 -46.05 91.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.356 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.537 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 68.2 mt -58.59 -41.73 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.372 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.44 -41.91 90.71 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.311 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -61.01 -44.97 96.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.311 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -68.05 -34.03 75.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.16 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 78' ' ' ILE . 33.9 mmtp -60.07 -50.85 72.07 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.947 0.403 . . . . 0.0 110.335 176.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.19 80.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.42 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 178.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -60.67 -50.37 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.993 0.425 . . . . 0.0 111.581 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -67.41 -34.11 76.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.687 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -72.29 -44.01 63.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.966 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.69 88.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.026 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 m -70.69 -40.8 72.67 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.63 -47.93 84.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.164 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.46 -41.79 93.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.203 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.77 -45.68 85.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.967 -177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.68 -44.4 86.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -58.86 -38.45 78.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.966 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 19' ' ' LYS . 4.5 tt -59.52 -48.43 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.124 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.723 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -64.56 -40.04 94.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.229 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.88 -49.44 77.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.371 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -63.9 -38.24 90.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.99 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -62.07 -32.81 73.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.348 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.604 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 1.7 tpm_? -67.45 -40.53 85.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.329 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -60.37 -49.01 79.3 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.14 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.84 HG13 HD11 ' A' ' 8' ' ' LEU . 95.3 t -58.45 -43.63 87.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.435 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.19 -42.89 82.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.277 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -60.7 -46.14 91.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.029 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.7 -46.38 94.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.465 -178.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 . . . . . 0 N--CA 1.452 -0.366 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.678 -177.479 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.629 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 11.5 mm-40 . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.992 0.425 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 51' ' ' TYR . 22.3 tp -69.89 -49.45 52.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.597 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.2 tp -63.3 -45.6 90.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.476 -175.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.629 ' HE3' ' HA ' ' A' ' 6' ' ' GLU . 17.7 ptpt -62.4 -35.26 78.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.704 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.65 81.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.361 . . . . 0.0 110.744 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.95 -46.73 83.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.437 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.89 -30.37 71.37 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.383 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -63.46 -43.87 96.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.088 0.47 . . . . 0.0 110.608 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.525 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -64.35 -40.76 98.11 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.968 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.91 -43.36 88.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.931 0.396 . . . . 0.0 110.544 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -59.91 -45.3 92.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.972 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.5 mt -61.69 -45.08 99.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.966 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.9 mt -60.52 -42.18 95.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.294 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HG2' HD11 ' A' ' 101' ' ' LEU . 60.8 mtpt -62.92 -41.0 99.3 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.564 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.559 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -61.85 -49.23 77.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.59 178.051 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 36' ' ' LEU . 73.9 t -66.71 -40.01 85.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.245 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.97 -41.4 91.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.379 0.609 . . . . 0.0 110.203 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 22.6 ttpt -60.93 -50.28 74.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.982 0.896 . . . . 0.0 110.206 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 44.2 mtpt -71.53 -23.74 61.82 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.061 -175.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -70.19 -25.77 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.249 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 47.7 mtmt -64.97 -29.58 70.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.992 0.425 . . . . 0.0 110.671 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -78.39 -46.71 19.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.038 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.65 49.29 3.67 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.88 172.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 10.1 t70 -91.66 120.51 32.49 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 171.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.31 -50.68 69.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.375 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -64.27 -37.98 89.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.8 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 29' ' ' ASP . 9.9 tp10 -61.03 -48.94 79.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.427 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.464 HD21 ' HA ' ' A' ' 25' ' ' ALA . 83.1 mt -62.08 -41.29 98.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.103 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.71 76.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.243 0.544 . . . . 0.0 110.577 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -68.93 -47.42 65.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.871 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.471 HD13 HG22 ' A' ' 21' ' ' VAL . 97.0 mt -65.14 -35.14 80.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.302 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -55.32 -43.94 75.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.302 -179.788 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -63.86 -38.74 92.22 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.411 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.99 -39.45 75.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.419 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.407 HD11 HG21 ' A' ' 21' ' ' VAL . 68.8 mt -62.35 -47.64 92.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.623 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 37' ' ' ASN . 95.1 t -59.32 -46.05 92.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.929 -178.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.19 -39.77 93.31 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.957 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.67 -47.42 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.591 0.234 . . . . 0.0 111.087 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 48' ' ' VAL . 10.2 mm-40 -63.37 -44.98 93.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -58.74 -44.61 90.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.962 0.41 . . . . 0.0 110.727 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.482 ' O ' HG23 ' A' ' 50' ' ' VAL . 54.5 tp60 -66.22 -47.0 75.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.321 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.65 -45.95 94.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.499 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 44' ' ' GLU . 69.0 t -60.24 -38.95 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.711 0.291 . . . . 0.0 110.825 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.642 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 62.0 tttm -61.58 -46.47 89.73 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 46' ' ' GLN . 77.0 t -59.87 -41.52 86.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 123.246 0.341 . . . . 0.0 110.989 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.446 ' CD1' HD11 ' A' ' 7' ' ' LEU . 30.5 m-85 -58.4 -46.16 86.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.791 0.329 . . . . 0.0 110.42 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -67.98 -33.95 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.974 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 58.7 mm-40 -58.47 -50.14 74.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.154 0.502 . . . . 0.0 109.933 175.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.24 -33.74 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.568 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.46 78.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.677 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -79.97 -8.13 59.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.2 0.524 . . . . 0.0 111.028 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -113.41 7.46 17.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.124 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.14 137.28 53.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.496 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.453 ' HD3' ' N ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -95.08 -20.65 19.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.146 -178.556 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 4.4 t-20 -115.38 113.47 43.21 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.123 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 11.4 Cg_endo -55.68 -33.76 88.43 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.103 2.535 . . . . 0.0 112.711 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.3 mp0 -62.77 -44.67 95.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 178.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.5 -29.26 61.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.55 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -63.73 -37.77 88.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.907 177.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -66.14 -39.3 89.74 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.606 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 62' ' ' GLU . 64.0 t -59.85 -45.54 94.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.99 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.406 HG23 ' HD1' ' A' ' 51' ' ' TYR . 82.3 mt -60.94 -44.55 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.342 176.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.19 -42.9 96.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.082 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -59.39 -45.92 90.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.435 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.76 -39.25 84.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.181 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.99 -41.35 82.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.803 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.77 -45.87 88.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.587 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -67.84 -39.77 83.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.175 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 78' ' ' ILE . 16.0 mm-40 -65.93 -41.52 91.24 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.25 176.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 39.2 mm-40 -57.57 -41.83 81.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.637 0.732 . . . . 0.0 109.958 172.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 28.0 ttmt -60.84 -45.62 93.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.321 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 48.1 m170 -60.84 -42.17 97.26 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.427 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.9 mt -59.4 -45.93 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.551 177.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.8 -41.16 99.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.059 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -59.84 -45.33 92.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.955 0.407 . . . . 0.0 110.195 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -69.48 -30.0 67.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.621 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -59.57 -47.49 85.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.711 0.291 . . . . 0.0 110.894 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.32 -35.61 68.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.934 0.397 . . . . 0.0 111.521 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -175.294 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -61.87 -47.63 84.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.855 0.359 . . . . 0.0 111.068 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -71.49 -39.45 70.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.269 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -64.25 -43.9 93.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.931 0.396 . . . . 0.0 110.183 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.13 87.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.66 177.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.0 m -65.84 -41.05 92.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.706 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.0 -47.92 81.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.458 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.3 t -66.17 -38.42 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.064 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.46 -46.47 89.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.898 0.38 . . . . 0.0 110.832 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -38.35 77.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.453 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.415 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 22.5 t-160 -62.64 -43.59 98.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.322 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.3 tt -57.44 -49.23 76.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.423 -178.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -61.46 -36.77 81.33 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.731 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.514 ' HA ' ' HD3' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -67.79 -39.62 84.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.867 0.365 . . . . 0.0 110.769 -179.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.463 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 38.9 mm-40 -66.87 -32.36 73.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.02 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 95.9 mt-30 -60.61 -40.95 93.73 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.087 175.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.514 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 61.7 mtp180 -62.43 -34.46 76.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.93 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' HG13 ' A' ' 111' ' ' ILE . 57.0 m170 -65.52 -46.44 79.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.62 -41.68 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.939 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 44.7 mm-40 -56.56 -44.28 80.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.711 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -67.58 -39.17 84.87 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.814 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 107' ' ' HIS . 80.3 mt -66.0 -47.55 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.651 0.262 . . . . 0.0 111.179 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 111.431 -178.858 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.948 0.404 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.1 tp -67.94 -43.74 78.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.795 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 108' ' ' VAL . 50.5 tp -59.78 -46.92 87.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.269 176.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 47.5 mtpt -57.77 -35.67 71.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.454 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.75 92.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.73 0.3 . . . . 0.0 110.763 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -64.17 -44.82 90.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.557 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 96.4 mt-30 -59.69 -42.11 92.26 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.484 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 17' ' ' ILE . 28.5 tt0 -63.15 -42.41 99.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.496 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.518 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.02 -42.84 99.54 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.971 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.28 -41.58 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 110.297 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -55.37 -47.51 75.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.374 0.607 . . . . 0.0 109.923 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 21' ' ' VAL . 82.9 mt -60.59 -47.23 93.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.959 177.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.588 HD22 HG13 ' A' ' 97' ' ' VAL . 94.8 mt -58.42 -39.58 80.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -62.62 -45.69 91.69 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.231 0.539 . . . . 0.0 110.534 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -43.48 98.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.704 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' ' 36' ' ' LEU . 58.0 t -67.81 -43.53 86.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.173 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.38 -37.09 79.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 110.321 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.19 -51.43 53.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.977 176.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -66.73 -22.4 66.06 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.692 -1.14 . . . . 0.0 112.808 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -26.18 66.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.984 0.421 . . . . 0.0 110.665 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HE3' ' HB3' ' A' ' 26' ' ' LYS . 29.6 mmmt -70.6 -28.56 64.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.087 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.8 -37.28 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.287 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.95 24.43 57.88 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.721 173.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.8 t70 -94.02 123.69 37.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.102 0.451 . . . . 0.0 110.328 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.03 -38.42 79.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.547 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -62.88 -44.55 95.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.569 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.4 tp10 -60.64 -47.58 85.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.407 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 96.8 mt -62.05 -40.28 95.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.31 -34.19 77.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.128 0.49 . . . . 0.0 110.6 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -45.72 71.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.666 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.592 ' HB3' HG22 ' A' ' 21' ' ' VAL . 82.8 mt -62.86 -43.2 99.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.031 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -56.83 -46.34 81.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.509 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -41.37 79.57 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.924 176.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.66 -41.31 83.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.743 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 21' ' ' VAL . 74.3 mt -61.66 -50.23 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.696 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.04 -37.31 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.184 0.516 . . . . 0.0 110.282 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -62.79 -46.85 86.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.188 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.22 73.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.315 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 48' ' ' VAL . 13.8 mm-40 -59.45 -45.67 90.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.55 -39.68 95.03 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.75 0.31 . . . . 0.0 110.657 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -61.73 -45.66 92.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.857 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.481 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -58.93 -39.55 94.21 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.235 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 44' ' ' GLU . 53.2 t -55.92 -41.83 68.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.667 0.27 . . . . 0.0 111.259 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 82.4 tttt -65.68 -39.41 91.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.84 -38.21 82.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.513 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.86 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 45.7 m-85 -66.58 -36.73 83.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 175.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 55.6 tttp -57.47 -47.23 82.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.145 0.498 . . . . 0.0 110.029 173.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.53 -49.58 75.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.256 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.87 -34.37 76.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.758 -177.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.44 -37.81 83.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.817 0.341 . . . . 0.0 111.34 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 70.6 mt-10 -82.96 -32.59 27.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.2 0.524 . . . . 0.0 110.176 -178.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -89.53 12.21 17.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.859 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.56 104.75 4.63 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.565 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -70.17 -42.51 72.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.686 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.409 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 18.2 t-20 -91.59 121.81 66.73 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.202 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -64.4 -31.78 61.46 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.141 2.561 . . . . 0.0 113.481 -175.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 11.8 mp0 -63.2 -43.72 97.37 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.94 0.4 . . . . 0.0 110.548 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.49 -33.92 77.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.344 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -60.71 -43.58 97.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -66.03 -40.69 91.25 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.733 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 70' ' ' ILE . 62.1 t -59.68 -46.65 93.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.024 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.458 HG23 ' HD1' ' A' ' 51' ' ' TYR . 78.2 mt -63.77 -41.13 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.855 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.85 -43.82 97.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.18 -44.96 95.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.954 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 66' ' ' VAL . 62.1 mt -64.97 -36.15 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.883 0.373 . . . . 0.0 110.26 178.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.86 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -55.31 -40.51 71.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.883 174.331 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.82 -45.12 79.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.834 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.653 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 68.8 m-20 -57.56 -45.95 84.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.713 -178.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -69.29 -41.31 76.98 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.308 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -59.84 -41.47 91.46 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.653 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 14.5 ttmm -57.63 -41.02 80.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.629 177.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -63.47 -35.46 80.54 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.772 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.08 -45.38 94.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.932 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 21.3 mm-40 -59.58 -39.8 85.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.694 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.541 ' HB3' HD11 ' A' ' 96' ' ' LEU . 52.2 m0 -59.98 -44.78 94.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.989 0.423 . . . . 0.0 110.02 175.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 25.2 m80 -69.64 -28.55 66.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.732 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 82' ' ' LYS . 5.2 mmmm -57.69 -46.02 84.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.993 0.425 . . . . 0.0 109.911 174.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.4 -32.44 66.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.251 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 81' ' ' HIS . . . . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.898 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -61.35 -48.75 79.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.342 0.591 . . . . 0.0 110.58 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -66.93 -42.1 85.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.895 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -63.27 -42.95 99.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.569 -175.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.01 -39.61 95.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.601 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 t -67.9 -36.7 80.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.159 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 80' ' ' TRP . 51.5 tp -66.07 -46.79 76.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.657 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.588 HG13 HD22 ' A' ' 18' ' ' LEU . 71.0 t -61.51 -37.6 78.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.767 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.22 -40.94 98.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.705 176.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -67.06 -45.57 76.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.517 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 17.6 t-160 -60.17 -36.45 77.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.815 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.3 -49.49 76.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.297 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.48 -43.53 93.86 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 120.78 0.324 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -51.26 67.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.179 177.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.541 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 10.6 mm-40 -70.59 -36.01 73.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.573 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 18.1 mt-30 -60.45 -42.58 96.44 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.829 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -64.2 -39.57 94.27 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.986 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.42 ' O ' HG13 ' A' ' 111' ' ' ILE . 53.1 m170 -58.97 -44.86 91.61 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.612 HG13 HD11 ' A' ' 8' ' ' LEU . 68.0 t -62.97 -42.33 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.335 175.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 5.2 mm-40 -57.25 -45.08 84.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.198 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -40.57 78.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.2 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 107' ' ' HIS . 81.2 mt -66.06 -41.12 88.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.218 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 120.919 0.39 . . . . 0.0 111.397 178.299 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.784 0.326 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.87 -38.98 83.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.292 0.568 . . . . 0.0 110.179 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.53 HD11 HG13 ' A' ' 108' ' ' VAL . 26.0 tp -60.88 -40.5 93.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.916 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -58.66 -35.96 73.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.601 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.35 85.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.609 0.242 . . . . 0.0 110.933 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.0 -42.81 99.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.163 0.506 . . . . 0.0 110.085 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.395 175.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -62.28 -40.01 94.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.426 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.417 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -65.58 -41.29 96.18 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.328 175.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.489 HG23 HD11 ' A' ' 101' ' ' LEU . 79.4 mt -59.04 -40.52 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.828 0.347 . . . . 0.0 110.392 175.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -60.17 -42.7 95.54 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 21' ' ' VAL . 76.2 mt -66.33 -46.03 88.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.549 176.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -59.74 -38.45 81.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.877 178.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -64.0 -42.88 97.03 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.07 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -45.5 91.56 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.472 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.574 HG22 ' HB3' ' A' ' 36' ' ' LEU . 42.8 t -66.7 -39.45 83.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.896 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.08 -36.12 82.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.561 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -64.83 -52.12 58.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.847 0.832 . . . . 0.0 109.875 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' CD ' HD11 ' A' ' 36' ' ' LEU . 49.9 mttp -66.77 -21.7 66.05 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.204 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.04 -33.79 69.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.069 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -68.11 -28.29 67.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.96 0.409 . . . . 0.0 110.819 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.56 -43.49 38.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.8 26.56 71.01 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.46 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.475 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 14.8 t70 -72.81 120.82 18.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.997 0.427 . . . . 0.0 110.494 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -62.37 -41.11 98.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.591 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -68.67 -44.44 74.06 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.384 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -62.31 -49.2 76.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.868 178.36 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.48 HD23 HD12 ' A' ' 36' ' ' LEU . 84.9 mt -60.48 -37.12 80.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.575 -176.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.62 99.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -68.24 -44.11 76.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.49 . . . . 0.0 110.192 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.574 ' HB3' HG22 ' A' ' 21' ' ' VAL . 94.7 mt -58.26 -44.64 88.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.611 -178.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -57.93 -47.72 82.06 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -39.67 92.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.042 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.99 -41.16 95.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 21' ' ' VAL . 80.5 mt -60.01 -50.31 80.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.532 HG13 HG23 ' A' ' 78' ' ' ILE . 76.5 t -58.55 -43.95 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.719 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -62.98 -39.93 96.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.5 -47.81 71.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.8 mm-40 -60.07 -42.39 94.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.342 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -58.84 -44.62 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.791 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -66.28 -42.61 88.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.265 0.555 . . . . 0.0 110.158 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -41.64 98.12 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.091 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.498 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 44.7 t -57.1 -44.4 83.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 C-N-CA 122.33 0.252 . . . . 0.0 111.124 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HE3' ' HG2' ' A' ' 53' ' ' GLU . 2.8 tptt -56.17 -47.87 77.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.04 -38.66 81.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.613 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 3.0 m-85 -61.13 -43.3 99.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.664 175.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 73.2 mmtt -56.9 -43.89 81.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 177.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.559 ' HG2' ' HE3' ' A' ' 49' ' ' LYS . 53.8 mm-40 -68.28 -48.55 64.69 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.026 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.58 -33.68 71.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.843 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.49 -38.61 69.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.582 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -88.92 -9.68 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 0.0 110.996 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.802 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 10.2 mmpt? -79.22 -18.9 52.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.253 0.549 . . . . 0.0 109.786 174.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.15 105.71 3.02 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.849 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -69.28 -29.99 67.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.631 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 97.3 m-20 -98.11 130.34 28.79 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.593 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 32.0 Cg_exo -59.34 -34.53 97.71 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.301 2.667 . . . . 0.0 112.797 -177.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.06 -42.57 84.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.213 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.52 -37.82 88.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.123 0.487 . . . . 0.0 110.031 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -64.0 -37.02 85.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.719 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.7 -44.52 96.78 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.443 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 70' ' ' ILE . 57.2 t -61.46 -48.56 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.456 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.18 -45.19 99.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.021 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.18 -46.0 89.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.074 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.431 ' HB3' ' HE3' ' A' ' 69' ' ' LYS . 21.6 mtpp -59.98 -46.66 88.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.628 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 66' ' ' VAL . 68.7 mt -61.26 -39.93 84.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.189 0.518 . . . . 0.0 110.1 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.63 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 2.1 mt -57.33 -45.45 84.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.984 176.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.58 -43.32 99.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.016 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.16 -43.04 96.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.424 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.25 -37.97 89.39 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.515 0.198 . . . . 0.0 110.544 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 61.3 mm-40 -57.44 -40.98 79.59 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.378 0.609 . . . . 0.0 109.96 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -69.46 -38.17 77.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.451 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -57.07 -50.39 72.92 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.204 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.583 HG22 ' HE3' ' A' ' 82' ' ' LYS . 56.4 mt -60.39 -39.17 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.663 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.58 -40.98 96.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.078 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -59.97 -44.87 94.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.031 0.444 . . . . 0.0 110.742 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -69.38 -30.56 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.65 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.583 ' HE3' HG22 ' A' ' 78' ' ' ILE . 97.3 mttt -59.62 -47.47 85.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 0.0 110.23 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.91 95.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.999 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.115 179.398 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.115 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.45 -48.47 80.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.795 0.331 . . . . 0.0 111.707 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -70.17 -37.03 75.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.923 0.392 . . . . 0.0 110.663 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 97' ' ' VAL . 58.0 t80 -63.76 -46.57 84.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.129 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.08 -35.67 75.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.993 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.8 t -70.35 -38.35 74.8 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.44 -47.48 83.87 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.475 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 93' ' ' PHE . 89.6 t -57.85 -43.87 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 52.6 tt0 -63.83 -43.25 96.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.974 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.51 -44.18 96.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.967 0.413 . . . . 0.0 110.494 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -60.16 -43.28 95.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.928 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.704 ' HG ' HE21 ' A' ' 105' ' ' GLN . 52.0 tp -57.57 -43.08 84.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.338 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 18.2 mm-40 -57.42 -43.42 83.77 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.553 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -69.09 -47.19 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.511 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -60.58 -33.1 72.22 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.95 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.704 HE21 ' HG ' ' A' ' 101' ' ' LEU . 76.0 mt-30 -60.97 -49.55 77.01 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.105 0.479 . . . . 0.0 110.381 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 106' ' ' ARG . 3.0 mpt_? -67.11 -31.42 71.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.666 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -56.96 -50.8 71.54 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 173.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.607 ' O ' ' HB2' ' A' ' 112' ' ' GLU . 92.5 t -60.23 -46.13 95.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.415 178.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.73 -35.3 74.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.262 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -71.85 -49.35 39.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.496 ' HB ' HD13 ' A' ' 8' ' ' LEU . 64.8 mt -71.18 -35.31 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.715 -175.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 108' ' ' VAL . 1.8 tm-20 . . . . . 0 C--N 1.329 -0.326 0 C-N-CA 123.411 0.684 . . . . 0.0 112.453 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 121.08 0.467 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.473 ' HG ' ' CZ ' ' A' ' 51' ' ' TYR . 7.7 tp -69.89 -49.65 50.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.719 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.677 HD11 HG13 ' A' ' 108' ' ' VAL . 24.1 tp -64.63 -46.61 81.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.474 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 8.7 mtpm? -59.28 -34.19 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.944 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.49 84.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.992 0.425 . . . . 0.0 110.643 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.0 mm-40 -70.4 -45.33 66.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.66 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -60.08 -34.22 73.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.322 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -61.17 -44.13 97.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.027 0.441 . . . . 0.0 109.941 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.605 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -71.18 -40.18 61.73 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.946 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 11' ' ' GLU . 67.9 mt -58.35 -43.52 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.758 0.314 . . . . 0.0 110.766 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -59.16 -45.77 90.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.648 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 21' ' ' VAL . 87.7 mt -64.5 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.062 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 91.4 mt -63.78 -39.37 94.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.909 0.385 . . . . 0.0 110.569 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -66.58 -37.67 85.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.436 174.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 17' ' ' ILE . 41.7 mm-40 -59.68 -48.0 83.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.879 176.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 17' ' ' ILE . 59.8 t -64.52 -42.71 95.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.68 -37.63 87.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.103 0.478 . . . . 0.0 110.735 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -70.17 -51.35 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.906 0.86 . . . . 0.0 109.85 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HD3' ' CG ' ' A' ' 32' ' ' GLU . 67.3 mttm -64.14 -21.68 66.64 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.257 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.51 -25.97 68.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.673 0.273 . . . . 0.0 110.745 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.747 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 11.2 mmpt? -71.72 -29.48 64.59 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.172 0.51 . . . . 0.0 109.831 176.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.9 -46.36 45.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.513 174.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.04 63.71 3.05 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.353 -0.839 . . . . 0.0 113.5 172.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.446 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.8 t70 -123.9 133.79 53.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.604 -0.351 . . . . 0.0 110.558 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.21 -39.25 89.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.629 -176.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -66.61 -45.08 80.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.453 0.644 . . . . 0.0 109.58 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.4 tp10 -60.3 -49.54 77.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.606 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 91.8 mt -63.59 -38.21 90.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.18 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.96 99.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.59 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -65.61 -40.14 92.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.956 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 21' ' ' VAL . 90.5 mt -64.13 -41.39 97.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.777 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -58.11 -45.73 86.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -59.13 -42.07 89.77 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.815 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' HG3' HD13 ' A' ' 17' ' ' ILE . 9.2 tp10 -64.76 -39.89 94.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.702 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 36' ' ' LEU . 82.1 mt -61.26 -50.66 79.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-O 120.96 0.41 . . . . 0.0 110.777 177.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.66 -42.73 95.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.804 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -64.28 -47.91 77.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.511 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.88 -49.85 41.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.584 ' O ' HG23 ' A' ' 48' ' ' VAL . 14.6 tt0 -70.73 -42.92 69.9 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.359 -172.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.483 ' HE3' HD13 ' A' ' 78' ' ' ILE . 22.0 ttmt -60.91 -36.87 80.4 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.714 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -61.3 -46.09 91.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.14 -37.01 94.23 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.572 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 44' ' ' GLU . 88.8 t -56.93 -41.53 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 tmtt? -65.14 -45.59 84.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.24 -43.1 92.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.477 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.473 ' CZ ' ' HG ' ' A' ' 7' ' ' LEU . 9.3 m-85 -61.68 -43.18 99.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 176.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -63.41 -40.6 97.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.161 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 19.4 mm-40 -62.1 -45.5 93.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.833 175.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.05 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.487 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.13 -41.43 83.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 0.0 110.82 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.72 -0.13 49.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.736 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -109.4 -16.22 14.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.597 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.4 -20.99 59.85 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.23 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 70.61 -70.53 0.15 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.448 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.474 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 48.5 t30 -66.52 123.26 85.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.768 -175.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 9.1 Cg_endo -51.27 -25.82 18.82 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 124.026 3.151 . . . . 0.0 113.704 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 66' ' ' VAL . 26.0 tt0 -64.29 -46.0 85.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.269 0.556 . . . . 0.0 110.6 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.85 -31.19 63.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.429 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -62.79 -43.01 99.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.289 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -67.35 -37.12 82.74 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 62' ' ' GLU . 89.2 t -60.25 -47.54 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 110.129 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 51' ' ' TYR . 71.6 mt -68.0 -38.55 80.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.485 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.63 -44.89 85.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.429 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -60.09 -44.81 94.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.073 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.653 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 62.1 mt -63.79 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.074 0.464 . . . . 0.0 109.896 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.97 -50.15 73.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.713 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.634 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 11.9 tt0 -57.31 -44.93 84.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.457 0.473 . . . . 0.0 111.149 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -69.09 -37.02 78.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.695 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 21.9 mm-40 -67.78 -38.39 83.3 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.261 177.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.634 ' OE1' ' HA ' ' A' ' 72' ' ' GLU . 3.0 mt-10 -57.3 -40.81 78.64 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.741 0.781 . . . . 0.0 109.724 171.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.517 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 28.3 ttmt -68.76 -40.05 79.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.217 -177.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -61.73 -39.42 91.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.483 HD13 ' HE3' ' A' ' 45' ' ' LYS . 69.4 mt -64.15 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.367 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 46.4 mt-10 -59.69 -41.19 90.16 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.985 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -63.5 -45.29 91.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.997 0.427 . . . . 0.0 111.066 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -67.98 -29.62 68.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.896 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 90.4 mttt -59.41 -42.68 92.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.902 0.382 . . . . 0.0 110.334 175.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.21 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.771 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.245 179.675 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.637 0.256 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -40.93 96.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.212 0.53 . . . . 0.0 110.136 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -68.4 -38.7 81.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.627 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -64.83 -45.45 86.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.159 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.27 90.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.704 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 62.5 m -64.13 -37.89 89.09 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.998 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.88 -47.12 72.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.1 0.476 . . . . 0.0 110.451 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.546 HG21 HG11 ' A' ' 21' ' ' VAL . 70.7 t -61.0 -39.42 82.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.186 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.91 -44.41 94.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 0.0 110.561 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -67.33 -40.78 85.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.392 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -60.65 -41.04 94.19 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.845 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' HA ' HD13 ' A' ' 18' ' ' LEU . 62.2 tp -58.58 -47.42 84.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.149 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -60.85 -38.73 86.54 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.31 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.63 -50.73 68.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.079 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -64.53 -37.47 87.65 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.295 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.42 -44.89 95.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -67.87 -32.85 73.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.34 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -58.01 -51.81 68.1 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.005 0.431 . . . . 0.0 110.377 175.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.677 HG13 HD11 ' A' ' 8' ' ' LEU . 87.3 t -64.57 -38.6 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.957 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.41 -35.82 70.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.444 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.12 -40.54 71.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.992 0.425 . . . . 0.0 110.569 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.06 -36.75 77.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.27 0.557 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.948 -179.487 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.765 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 53.2 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.665 0.269 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 tp -69.96 -43.31 71.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.968 0.413 . . . . 0.0 110.531 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.685 HD11 HG13 ' A' ' 108' ' ' VAL . 15.9 tp -63.97 -30.17 71.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.428 -178.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.765 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 50.8 mtpt -55.93 -35.69 66.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.511 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.85 87.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.79 0.328 . . . . 0.0 110.651 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -67.97 -43.72 78.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.251 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 89.1 mt-30 -62.26 -39.24 92.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.076 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 17' ' ' ILE . 55.6 tp60 -61.01 -44.54 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.987 0.422 . . . . 0.0 110.233 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.73 -46.43 75.42 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.975 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.7 mt -58.95 -43.4 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.826 0.346 . . . . 0.0 110.536 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -59.44 -46.48 88.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.909 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.461 HD12 ' HB2' ' A' ' 43' ' ' ALA . 74.6 mt -59.39 -47.84 89.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.611 176.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.1 mt -57.97 -43.8 86.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 111.184 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -61.32 -46.12 91.61 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.923 0.392 . . . . 0.0 110.814 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -44.5 90.57 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.645 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.589 HG13 HD13 ' A' ' 36' ' ' LEU . 39.6 t -60.12 -42.73 91.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.461 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.15 -43.42 92.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.011 0.434 . . . . 0.0 110.5 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 10.5 tmtt? -71.47 -46.93 58.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.634 0.73 . . . . 0.0 109.835 176.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.929 ' HG2' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -58.16 -37.45 74.73 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.924 -174.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.82 -25.66 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.943 0.401 . . . . 0.0 111.59 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mmtt -62.76 -27.77 69.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.365 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.43 -82.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -175.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.22 -31.22 7.72 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.51 -0.852 . . . . 0.0 113.994 -166.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.408 ' OD1' ' HB2' ' A' ' 90' ' ' ALA . 22.8 t70 68.68 149.64 0.07 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.788 0.435 . . . . 0.0 112.113 -177.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 58.0 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.115 0.966 . . . . 0.0 113.086 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -58.17 -39.98 80.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.24 0.543 . . . . 0.0 110.718 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.9 tp10 -66.47 -38.45 87.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.143 177.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.499 HD22 ' CD2' ' A' ' 93' ' ' PHE . 78.5 mt -62.32 -37.02 83.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.262 -177.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.55 -46.7 80.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.357 . . . . 0.0 111.129 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -62.1 -50.82 70.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.565 0.697 . . . . 0.0 110.474 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.929 HD21 ' HG2' ' A' ' 24' ' ' LYS . 80.1 mt -61.05 -42.86 99.27 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.537 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.463 HD22 ' HE1' ' A' ' 93' ' ' PHE . 25.2 t-20 -56.06 -48.27 76.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.673 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -45.82 90.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.279 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -66.11 -34.76 78.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.937 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 36' ' ' LEU . 80.4 mt -64.46 -48.88 83.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.951 0.405 . . . . 0.0 110.23 176.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.6 t -61.64 -37.55 78.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.415 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.446 ' HD3' ' C ' ' A' ' 42' ' ' LYS . 1.3 tmtp? -58.89 -46.4 87.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.436 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.461 ' HB2' HD12 ' A' ' 17' ' ' ILE . . . -61.96 -47.03 86.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.171 -178.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -61.29 -48.52 80.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.698 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -60.01 -39.63 86.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.403 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.81 -46.82 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.449 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.482 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -65.64 -45.66 88.14 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.962 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 44' ' ' GLU . 68.9 t -56.34 -38.57 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 120.674 0.274 . . . . 0.0 111.502 -176.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -64.85 -39.75 94.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.703 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.91 -41.59 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.651 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.482 ' HD2' ' O ' ' A' ' 47' ' ' GLY . 64.6 m-85 -67.53 -34.66 77.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -45.4 88.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -39.38 91.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.876 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.89 75.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.351 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.23 -37.37 87.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.11 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.52 -8.72 58.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -109.35 3.79 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.685 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.02 104.08 1.67 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.25 -176.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -70.1 -51.61 30.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.304 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 19.3 m120 -84.84 129.36 56.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.868 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 31.4 Cg_exo -59.58 -32.97 96.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.75 2.3 . . . . 0.0 111.423 176.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.08 -43.06 93.4 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.669 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.25 -36.33 81.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.296 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -61.57 -37.67 84.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.435 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -46.08 92.19 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.791 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.06 -46.48 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.562 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.4 -46.7 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.744 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.75 -43.29 94.33 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.945 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -58.95 -45.77 89.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.315 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 79.3 mt -67.86 -39.33 81.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.427 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.73 -46.79 81.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -68.44 -45.03 73.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.538 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.594 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 2.0 m-20 -60.23 -40.13 89.12 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.78 -177.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.455 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 25.3 mm-40 -73.11 -34.6 66.25 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.363 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -40.52 82.9 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.758 0.79 . . . . 0.0 109.167 171.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 21.4 ttmt -57.22 -40.47 77.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.274 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -74.7 -39.77 61.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.163 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 74' ' ' GLU . 78.1 mt -57.11 -43.62 81.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.926 0.393 . . . . 0.0 110.052 176.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.3 -50.62 70.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.48 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.461 ' HB3' HD11 ' A' ' 96' ' ' LEU . 51.2 m0 -60.79 -47.36 86.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.135 0.493 . . . . 0.0 111.358 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -71.3 -30.91 66.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.859 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -68.03 -35.71 78.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.023 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.89 -34.6 76.97 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.068 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.916 176.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . . . . . . 0 N--CA 1.468 0.433 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -60.65 -50.13 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.643 0.735 . . . . 0.0 110.199 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -72.44 -43.31 63.97 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.073 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.499 ' CD2' HD22 ' A' ' 33' ' ' LEU . 38.0 t80 -67.07 -46.31 74.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.434 -172.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.59 83.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 110.715 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 19.3 m -69.21 -39.12 78.78 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.14 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 80' ' ' TRP . 48.7 tp -61.01 -46.19 91.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.856 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 93' ' ' PHE . 95.5 t -57.42 -41.65 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.01 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -64.91 -45.63 85.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 95' ' ' SER . 85.8 mm-40 -67.04 -36.63 82.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -65.87 -46.08 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.936 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -38.03 74.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.509 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 0.4 OUTLIER -62.06 -44.6 96.34 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 178.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.664 ' HA ' ' HD2' ' A' ' 106' ' ' ARG . 0.5 OUTLIER -67.64 -39.3 84.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.803 -177.304 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -65.77 -37.16 85.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.968 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.05 -33.69 76.33 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.805 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.664 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 95.6 mtt180 -65.5 -41.36 93.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.849 176.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.488 ' O ' HG13 ' A' ' 111' ' ' ILE . 61.4 m170 -58.87 -50.82 72.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.106 177.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.685 HG13 HD11 ' A' ' 8' ' ' LEU . 61.1 t -58.92 -46.01 91.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.105 0.479 . . . . 0.0 110.386 177.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.24 -40.56 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.607 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -71.59 -37.46 70.98 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 107' ' ' HIS . 78.8 mt -72.36 -49.49 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -176.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 . . . . . 0 C--O 1.233 0.228 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -170.908 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.858 0.361 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.8 -41.53 95.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.999 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.4 tp -69.62 -45.59 68.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.291 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -57.95 -36.06 72.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.217 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.48 91.1 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.679 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.18 -43.86 97.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.012 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.34 -32.69 70.33 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.072 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -66.31 -43.82 85.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.437 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.51 -38.93 93.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.912 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.3 mt -60.14 -41.05 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.677 0.275 . . . . 0.0 110.699 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -58.92 -47.61 84.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.418 0.628 . . . . 0.0 110.086 176.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 21' ' ' VAL . 72.3 mt -60.35 -46.46 95.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.883 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.5 -39.39 79.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.107 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -63.68 -45.23 91.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.367 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -47.64 84.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.019 0.438 . . . . 0.0 110.329 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.564 HG21 HD11 ' A' ' 40' ' ' ILE . 61.8 t -68.45 -39.87 81.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.462 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.89 -41.56 96.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.963 0.411 . . . . 0.0 110.362 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -67.29 -49.61 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.69 0.757 . . . . 0.0 109.997 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.95 -23.24 63.4 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.449 -1.25 . . . . 0.0 111.643 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.25 -25.84 68.24 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.867 0.365 . . . . 0.0 111.05 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -69.35 -28.77 66.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.64 -45.87 60.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.71 22.42 72.3 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.021 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.67 119.26 21.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.066 0.46 . . . . 0.0 110.443 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.71 -36.84 85.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.114 -174.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -71.65 -44.13 64.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.975 0.417 . . . . 0.0 110.678 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.1 tp10 -64.09 -49.5 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.985 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.98 -36.51 81.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.331 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.29 -48.01 81.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.819 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 29.0 ttt180 -66.04 -47.46 74.3 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.006 0.432 . . . . 0.0 110.446 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.555 ' HB3' HG22 ' A' ' 21' ' ' VAL . 60.3 mt -58.17 -34.61 70.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.75 -176.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.514 ' O ' HG23 ' A' ' 41' ' ' VAL . 65.0 t30 -60.44 -48.01 83.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -60.12 -40.05 88.4 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.878 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 5.3 mm-40 -60.35 -39.63 87.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.598 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.564 HD11 HG21 ' A' ' 21' ' ' VAL . 74.7 mt -66.18 -48.7 80.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.338 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 37' ' ' ASN . 60.9 t -56.63 -43.86 79.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.393 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -61.86 -45.92 91.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.1 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.07 75.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.247 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.0 mm-40 -61.65 -48.11 82.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -59.07 -42.79 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.808 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -68.85 -44.61 73.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.24 -46.45 94.44 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.102 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 44' ' ' GLU . 25.2 t -61.93 -35.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.117 0.484 . . . . 0.0 110.602 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -60.22 -38.23 82.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.052 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.0 t -71.08 -41.6 76.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.75 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -63.04 -39.35 94.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.824 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -61.43 -35.71 78.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.387 . . . . 0.0 110.888 176.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.19 -46.18 81.8 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.381 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.05 -31.83 72.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.773 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.75 68.84 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -76.09 -21.28 56.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 0.0 110.651 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -92.84 9.43 35.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.742 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.95 102.96 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.472 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -80.99 -15.65 55.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.05 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' HB2' ' HG3' ' A' ' 63' ' ' LYS . 12.2 m120 -117.3 124.03 29.42 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.079 -178.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.14 -27.83 85.7 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.975 2.45 . . . . 0.0 111.788 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -64.37 -46.45 83.32 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.824 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.495 ' HG3' ' HB2' ' A' ' 60' ' ' ASN . 46.0 mttm -73.29 -32.29 64.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.207 -178.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -39.75 91.31 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.024 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.403 ' OE1' ' HG2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -60.53 -47.01 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 70' ' ' ILE . 47.4 t -60.19 -51.11 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.469 178.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.71 -44.19 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 71' ' ' LEU . 22.2 t70 -60.52 -43.94 96.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.984 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HG2' ' OE1' ' A' ' 65' ' ' GLN . 31.7 mmtp -58.48 -46.52 86.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.395 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 66' ' ' VAL . 78.6 mt -59.99 -42.27 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.242 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 68' ' ' ASP . 26.5 mt -57.0 -50.09 73.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.705 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.19 -41.25 77.4 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.419 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.515 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 13.4 m-20 -68.98 -37.67 78.9 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.431 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 78' ' ' ILE . 26.2 mm-40 -69.28 -38.65 78.44 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.034 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.457 ' OE2' HG11 ' A' ' 48' ' ' VAL . 25.7 mm-40 -58.4 -40.46 82.44 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.524 0.678 . . . . 0.0 110.075 173.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 86.3 tttt -59.83 -41.32 91.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.954 176.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 43.9 m170 -65.76 -45.59 81.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.007 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 74' ' ' GLU . 71.0 mt -56.32 -38.82 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.922 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.08 -41.58 92.78 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.421 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.456 ' CZ2' ' HE2' ' A' ' 76' ' ' LYS . 29.0 m0 -67.09 -46.97 72.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.07 0.462 . . . . 0.0 111.072 -177.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -70.48 -30.65 67.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.799 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -59.56 -46.78 87.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.739 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.79 -34.31 76.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.714 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.643 -178.719 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.75 -49.37 76.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.027 0.441 . . . . 0.0 111.215 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.919 HE21 ' HA ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -69.48 -28.83 66.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.85 177.721 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -66.13 -38.91 89.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.202 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.56 97.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.8 t -69.23 -34.81 75.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.728 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.626 ' HA ' HE21 ' A' ' 99' ' ' GLN . 48.2 tp -60.0 -47.4 86.01 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.656 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.33 -41.03 88.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.699 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.567 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 6.6 tt0 -65.91 -46.77 77.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.578 -177.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.626 HE21 ' HA ' ' A' ' 96' ' ' LEU . 29.1 pt20 -69.59 -34.87 74.73 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.214 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.458 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 6.2 t-160 -62.16 -43.9 97.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.04 -42.87 91.28 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.524 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 28.9 mm-40 -63.2 -43.85 97.03 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.03 0.443 . . . . 0.0 110.693 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.09 -44.27 97.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.267 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 49.8 mm-40 -63.79 -33.12 74.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.302 -178.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.78 -36.67 79.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.787 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.79 -42.36 99.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.723 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -59.34 -46.43 88.62 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.0 0.429 . . . . 0.0 109.862 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.54 -46.51 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.006 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -57.81 -46.13 85.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.609 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -68.73 -41.9 78.38 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.019 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.8 mt -74.18 -51.88 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.812 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 C--N 1.326 -0.414 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -171.801 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.705 0.288 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.46 -49.4 66.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.249 178.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.471 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 36.7 tp -63.76 -44.9 92.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.762 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.477 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.63 -35.78 70.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.866 -179.819 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.09 84.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 110.435 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.11 -43.82 98.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.705 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 96.1 mt-30 -59.08 -40.98 86.92 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.425 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.49 -44.08 92.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.303 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.571 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -64.95 -47.03 87.26 Favored Glycine 0 C--O 1.226 -0.355 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.278 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.408 HG23 HD21 ' A' ' 101' ' ' LEU . 78.0 mt -58.68 -42.49 85.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.381 . . . . 0.0 110.733 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -61.93 -46.6 88.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.221 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 21' ' ' VAL . 70.0 mt -59.33 -42.59 87.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.824 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.5 mt -60.48 -43.01 97.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.315 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -62.68 -40.15 96.21 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.686 0.279 . . . . 0.0 110.777 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.06 -47.39 84.9 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.119 0.485 . . . . 0.0 110.608 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.517 HG21 HD11 ' A' ' 40' ' ' ILE . 96.2 t -64.29 -40.15 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.01 178.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.7 tp -59.55 -39.99 85.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.182 0.515 . . . . 0.0 110.423 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -64.57 -50.16 68.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.604 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -64.94 -25.54 67.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.003 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.18 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 110.519 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -74.43 -29.78 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.338 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -71.0 -41.53 70.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.764 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.33 14.42 64.02 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 114.322 169.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.54 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.9 t70 -76.03 118.17 18.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.464 0.632 . . . . 0.0 109.917 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -76.14 -31.95 58.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.646 -172.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.9 -44.69 95.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.107 0.48 . . . . 0.0 109.793 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -66.65 -42.16 87.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.731 176.754 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 83.7 mt -59.67 -37.31 78.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.902 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.45 92.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.744 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -67.38 -50.5 59.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.059 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 87.1 mt -58.84 -48.62 80.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.715 -176.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.453 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -55.95 -49.49 73.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.824 -176.272 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.466 ' OE1' ' HA ' ' A' ' 38' ' ' GLN . 11.6 mm-40 -69.17 -36.38 77.3 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.094 0.473 . . . . 0.0 111.241 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.85 -34.89 76.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.423 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.517 HD11 HG21 ' A' ' 21' ' ' VAL . 80.2 mt -63.13 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 173.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 78' ' ' ILE . 93.5 t -58.37 -46.6 89.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.499 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.94 -44.95 87.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.41 92.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.216 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.1 tp10 -62.65 -46.81 86.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.996 178.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -59.04 -40.19 84.32 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.612 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -58.72 -43.32 90.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.834 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.22 -40.46 81.71 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.101 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 44' ' ' GLU . 77.2 t -56.61 -41.37 73.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.577 0.227 . . . . 0.0 110.886 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -59.63 -41.66 90.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.26 -41.35 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.701 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.622 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 27.5 m-85 -65.61 -37.4 86.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.748 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.528 ' HA ' HD11 ' A' ' 71' ' ' LEU . 61.9 mmtt -58.84 -45.33 90.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.152 0.501 . . . . 0.0 110.334 174.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.7 -48.2 82.61 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.929 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.95 -36.3 69.83 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -174.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -43.04 80.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 111.858 -175.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -96.8 4.44 51.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.221 0.534 . . . . 0.0 110.892 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -107.48 -4.64 18.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.367 172.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.75 136.11 28.14 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.147 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -83.59 -4.36 58.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.06 -173.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.54 ' OD1' ' HB3' ' A' ' 62' ' ' GLU . 13.4 t-20 -146.43 134.98 10.93 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.151 -177.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 11.8 Cg_endo -55.51 -41.8 74.27 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.482 2.788 . . . . 0.0 113.375 -177.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.54 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 38.5 tt0 -57.91 -44.65 86.94 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.526 0.679 . . . . 0.0 110.071 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.502 ' HG2' ' HB3' ' A' ' 60' ' ' ASN . 61.9 mmtt -65.41 -37.08 85.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.568 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 64' ' ' ARG . 13.5 ttm180 -57.04 -47.37 81.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.255 175.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 62' ' ' GLU . 46.1 mt-30 -58.57 -44.35 89.73 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.062 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 62' ' ' GLU . 59.1 t -61.55 -53.78 43.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.3 mt -63.38 -38.98 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.89 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.16 -48.34 78.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.363 -179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -71.14 -32.29 68.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.184 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.78 -38.52 82.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.344 0.592 . . . . 0.0 109.553 171.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.622 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 3.3 mt -56.33 -39.19 72.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.92 176.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.55 -46.44 83.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.783 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -67.61 -37.85 83.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.549 -177.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 7.5 mm-40 -69.0 -43.89 73.93 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.531 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -37.49 73.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.637 0.732 . . . . 0.0 110.293 172.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 31.1 ttmt -68.91 -37.84 79.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.173 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -64.43 -34.75 78.9 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.85 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.629 HG23 HG13 ' A' ' 41' ' ' VAL . 75.8 mt -61.25 -43.6 96.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.87 175.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -58.97 -41.93 88.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.225 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.498 ' HB3' HD11 ' A' ' 96' ' ' LEU . 51.9 m0 -63.63 -46.35 86.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -69.94 -30.59 68.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.666 -177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.34 -46.5 89.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.264 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.68 71.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.524 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.024 -178.832 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.715 0.293 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.89 -48.77 78.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.244 0.545 . . . . 0.0 110.78 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -72.08 -32.13 66.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.965 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.401 ' O ' HG23 ' A' ' 97' ' ' VAL . 62.3 t80 -66.31 -42.92 87.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.725 0.298 . . . . 0.0 110.219 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.81 79.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.681 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.499 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 13.0 t -69.74 -41.69 74.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.868 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 80' ' ' TRP . 61.1 tp -60.23 -46.2 90.6 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.546 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.444 HG13 HD22 ' A' ' 18' ' ' LEU . 77.2 t -57.82 -41.91 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.782 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.17 -41.44 94.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.796 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 95' ' ' SER . 79.9 mm-40 -65.03 -41.8 94.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 110.463 178.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -63.61 -45.24 91.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.163 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.408 HD21 HG23 ' A' ' 15' ' ' ILE . 2.4 tt -58.69 -40.25 83.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.009 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 29.1 mm-40 -64.27 -40.86 96.85 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.805 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.89 -45.54 81.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.429 . . . . 0.0 109.918 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -63.14 -33.31 75.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.615 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -60.8 -36.15 78.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.134 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 102' ' ' GLN . 8.4 mmt180 -71.3 -34.83 70.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.03 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -64.11 -45.1 90.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.572 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.74 -39.59 85.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.181 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -56.6 -46.68 80.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.442 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.74 -44.17 97.43 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.657 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 70.5 mt -72.31 -36.8 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -176.327 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.714 0.293 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 51' ' ' TYR . 46.4 tp -66.59 -49.12 67.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.084 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.9 tp -62.54 -39.66 94.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.476 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -56.85 -38.57 72.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.052 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB1' ' HA2' ' A' ' 47' ' ' GLY . . . -63.23 -42.78 99.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.903 0.382 . . . . 0.0 110.617 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.36 -45.55 65.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.406 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.64 -35.56 74.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.222 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -61.03 -44.17 97.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.711 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.511 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -67.11 -43.3 90.51 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.92 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.81 -43.97 89.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.085 0.469 . . . . 0.0 110.243 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -58.28 -46.91 85.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.435 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 21' ' ' VAL . 75.1 mt -62.66 -46.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.295 176.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.2 mt -58.43 -46.33 86.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.47 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -64.53 -34.57 78.54 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.054 0.454 . . . . 0.0 110.738 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -39.6 90.07 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.804 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 17' ' ' ILE . 45.4 t -67.03 -40.99 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.948 0.404 . . . . 0.0 110.423 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.56 -36.14 77.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.507 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -67.42 -49.15 64.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.234 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -22.86 60.57 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.934 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.36 -25.85 66.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.447 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -68.74 -29.68 68.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.016 0.436 . . . . 0.0 110.773 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -76.91 -52.67 9.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.997 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.31 49.6 6.18 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.974 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -106.1 129.9 54.1 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -73.13 -30.6 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.064 -172.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -71.42 -42.13 68.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.156 0.503 . . . . 0.0 109.898 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 19.6 tp10 -59.63 -49.64 76.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.268 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.2 -37.0 84.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.257 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.21 82.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.891 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -60.8 -49.77 76.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.54 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.54 ' O ' HG13 ' A' ' 40' ' ' ILE . 96.2 mt -58.48 -40.73 83.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.766 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 41' ' ' VAL . 49.0 t30 -58.38 -49.37 77.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 0.0 110.142 178.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -42.07 93.77 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.994 178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -63.83 -34.76 78.64 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.163 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.547 HD11 HG21 ' A' ' 21' ' ' VAL . 93.9 mt -65.99 -46.77 87.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.928 0.394 . . . . 0.0 110.345 175.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 37' ' ' ASN . 29.9 t -61.5 -37.51 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.59 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -66.18 -46.34 77.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.009 173.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.64 94.47 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.454 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.2 mm-40 -59.31 -40.38 86.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.487 ' NZ ' HG12 ' A' ' 41' ' ' VAL . 50.5 mttp -62.11 -37.53 85.49 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.008 0.432 . . . . 0.0 110.476 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -63.07 -46.57 86.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.017 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.477 ' HA2' ' HB1' ' A' ' 10' ' ' ALA . . . -67.76 -45.68 73.5 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.577 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 44' ' ' GLU . 54.1 t -57.14 -40.26 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 122.241 0.216 . . . . 0.0 111.149 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -61.24 -47.98 83.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.618 0.247 . . . . 0.0 110.718 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.7 t -68.14 -42.71 85.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.655 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.489 ' CD1' HD11 ' A' ' 7' ' ' LEU . 21.7 m-85 -58.05 -48.33 80.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.849 0.357 . . . . 0.0 110.451 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.2 tptp -60.72 -45.78 92.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.675 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.16 -50.33 74.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.55 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.64 -34.42 64.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.43 -43.69 88.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 8.3 pt-20 -91.03 12.71 18.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.287 0.565 . . . . 0.0 110.637 -176.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -130.72 12.63 5.33 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.356 175.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.87 143.94 28.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.436 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -82.66 -36.55 25.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.98 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -87.05 116.66 66.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.899 -174.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.95 -27.6 20.57 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.756 2.304 . . . . 0.0 113.025 -177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.94 -45.45 64.16 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.261 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -74.66 -23.81 58.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.729 175.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -43.32 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -66.39 -39.62 89.15 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.814 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 70' ' ' ILE . 61.6 t -61.19 -48.67 87.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.281 177.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.412 HG23 ' HD1' ' A' ' 51' ' ' TYR . 81.2 mt -63.34 -40.63 89.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -61.92 -45.79 92.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 110.303 177.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -59.71 -44.97 93.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.106 176.483 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.458 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 76.8 mt -62.15 -39.86 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.625 177.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.571 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 6.7 mt -57.68 -49.47 76.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.77 -42.18 88.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.441 ' HA ' ' HZ2' ' A' ' 76' ' ' LYS . 95.0 m-20 -58.84 -46.85 86.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.232 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 30.8 mm-40 -66.18 -37.28 85.24 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.371 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 59.0 mm-40 -57.58 -37.7 73.62 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 109.894 173.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HZ2' ' HA ' ' A' ' 73' ' ' ASP . 3.9 ttmp? -68.88 -39.97 79.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.435 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -63.22 -42.72 99.31 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.85 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.9 mt -57.83 -37.51 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.713 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 82' ' ' LYS . 40.7 tt0 -64.93 -42.37 94.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.261 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.455 ' HB3' HD11 ' A' ' 96' ' ' LEU . 51.4 m0 -62.34 -47.24 85.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.166 0.508 . . . . 0.0 110.643 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -70.58 -28.79 65.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 80.0 tttt -57.81 -48.47 79.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.059 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 -35.05 75.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.889 -178.661 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 112.656 0.614 . . . . 0.0 112.656 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.96 -39.68 95.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.903 0.383 . . . . 0.0 111.465 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 12.5 mm-40 -61.97 -35.98 80.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.481 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 97' ' ' VAL . 72.3 t80 -68.66 -42.03 78.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.98 0.419 . . . . 0.0 110.029 176.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.09 -38.73 87.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.899 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 t -72.25 -33.55 67.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.198 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 80' ' ' TRP . 41.7 tp -59.49 -46.89 87.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.163 0.506 . . . . 0.0 109.652 175.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 93' ' ' PHE . 89.6 t -60.3 -37.8 75.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.47 175.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 55.7 tt0 -65.37 -47.84 75.0 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.494 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -42.97 98.45 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 110.328 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.506 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 4.4 t-160 -60.88 -46.69 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.118 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 45.3 tp -58.45 -48.83 79.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.53 -177.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 28.7 mm-40 -58.61 -37.29 75.55 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.692 -177.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -69.32 -43.69 73.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.113 0.482 . . . . 0.0 110.289 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 15.2 mm-40 -65.26 -38.29 89.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.314 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 26.1 mt-30 -61.43 -36.69 81.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.317 0.579 . . . . 0.0 109.966 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 73.2 ttt180 -69.7 -37.93 76.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.934 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -58.52 -44.95 89.72 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.22 -42.89 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.996 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.13 -37.32 71.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.178 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 106' ' ' ARG . 45.9 mt-10 -71.53 -48.77 46.56 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.498 178.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.7 -38.21 81.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.561 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 121.179 0.514 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.493 HD21 ' CE1' ' A' ' 51' ' ' TYR . 30.9 tp -62.91 -37.85 88.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.605 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 111' ' ' ILE . 32.8 tp -56.52 -41.8 77.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.551 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -57.15 -44.8 83.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.462 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.05 98.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.038 0.446 . . . . 0.0 110.757 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -67.71 -44.12 78.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.105 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 99.0 mt-30 -62.79 -39.07 93.09 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.142 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -61.94 -43.72 98.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.977 0.418 . . . . 0.0 110.565 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.88 -44.12 97.9 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.019 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.05 -40.72 86.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.819 0.343 . . . . 0.0 110.681 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -58.24 -46.68 85.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.217 0.532 . . . . 0.0 109.644 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 21' ' ' VAL . 78.7 mt -62.21 -42.59 95.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.058 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 94.4 mt -59.94 -41.59 92.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.606 0.241 . . . . 0.0 110.773 178.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.66 -40.96 96.33 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 121.189 0.519 . . . . 0.0 110.736 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.91 -45.99 92.45 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.137 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.572 HG22 ' HB3' ' A' ' 36' ' ' LEU . 96.7 t -67.48 -44.35 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.77 -36.52 79.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.105 0.479 . . . . 0.0 110.288 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.19 -51.07 67.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.809 0.814 . . . . 0.0 110.206 175.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.11 -23.55 65.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.084 -1.416 . . . . 0.0 112.215 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.551 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -61.94 -31.6 71.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.995 0.426 . . . . 0.0 111.019 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -70.21 -28.94 65.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.266 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.17 -32.86 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.826 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.38 51.76 9.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.12 -0.562 . . . . 0.0 113.636 173.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.519 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.5 t70 -118.7 118.31 31.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -68.25 -31.64 71.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.059 -172.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -70.81 -38.67 73.31 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.118 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 3.2 tp10 -60.06 -49.83 76.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.655 175.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.551 HD21 ' HA ' ' A' ' 25' ' ' ALA . 85.1 mt -59.96 -43.84 94.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.049 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.97 95.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.753 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -64.36 -42.01 96.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.29 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HB3' HG22 ' A' ' 21' ' ' VAL . 97.7 mt -62.94 -44.31 96.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.651 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.29 -39.12 85.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 110.43 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.08 -40.83 97.11 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.743 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.11 -40.65 98.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.081 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.519 HD11 HG21 ' A' ' 21' ' ' VAL . 78.9 mt -60.52 -50.49 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.624 177.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.56 HG13 HG23 ' A' ' 78' ' ' ILE . 85.4 t -61.08 -43.95 97.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.909 0.385 . . . . 0.0 110.699 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.99 -46.03 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.87 71.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.575 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' OE2' ' HB2' ' A' ' 77' ' ' HIS . 1.9 tp10 -62.82 -47.51 83.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.704 -178.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -63.48 -37.33 86.87 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.162 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 49' ' ' LYS . 28.5 tt0 -60.02 -42.15 93.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.94 175.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.55 -46.07 95.05 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.598 175.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 44' ' ' GLU . 83.1 t -58.91 -36.94 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.001 0.429 . . . . 0.0 110.838 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 46' ' ' GLN . 64.8 tttp -56.19 -47.77 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.458 176.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.2 t -71.49 -41.16 72.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.085 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.518 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 12.1 m-85 -58.33 -40.72 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.353 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.11 -40.77 98.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.093 0.473 . . . . 0.0 110.047 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -66.18 -41.09 90.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.945 176.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.63 78.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.177 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.7 90.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.219 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.68 -31.08 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.547 ' HZ2' ' HB3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -79.66 -22.2 43.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.652 -176.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.95 131.35 50.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.331 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -86.0 -44.71 12.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.795 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -87.39 123.69 69.29 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.997 -174.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.91 -37.01 88.48 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.07 2.513 . . . . 0.0 112.67 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.89 -43.63 92.28 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.898 0.38 . . . . 0.0 110.885 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.96 -38.47 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.416 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.54 -36.14 79.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.68 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 28.4 tt0 -64.16 -40.18 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.464 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 70' ' ' ILE . 58.1 t -60.09 -43.58 93.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.127 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.73 -44.76 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.861 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -58.19 -42.52 86.31 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.063 0.459 . . . . 0.0 110.725 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 65' ' ' GLN . 42.4 mtpt -59.12 -45.57 90.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.315 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 66' ' ' VAL . 61.6 mt -67.56 -38.79 81.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.906 0.384 . . . . 0.0 110.447 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.518 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 5.9 mt -56.23 -43.57 78.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.41 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 6.7 tm-20 -63.83 -40.21 96.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.031 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.456 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 31.1 m-20 -69.47 -45.95 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.307 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.512 ' O ' HG13 ' A' ' 78' ' ' ILE . 14.2 mm-40 -68.69 -42.71 77.39 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.786 -177.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.61 -34.9 69.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.369 0.604 . . . . 0.0 109.995 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.646 ' HD2' ' CZ2' ' A' ' 80' ' ' TRP . 1.8 ttmm -66.53 -45.93 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.872 177.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.467 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 39.1 m170 -62.48 -41.3 98.69 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.559 -177.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.56 HG23 HG13 ' A' ' 41' ' ' VAL . 62.1 mt -56.31 -45.35 81.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.881 177.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -57.11 -40.02 76.22 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.731 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.646 ' CZ2' ' HD2' ' A' ' 76' ' ' LYS . 53.2 m0 -65.84 -47.25 75.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.036 0.446 . . . . 0.0 110.997 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -69.99 -31.18 68.75 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.117 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -62.24 -36.13 81.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.888 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.78 -31.76 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.289 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.791 -175.669 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.07 -51.02 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.778 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -73.35 -33.23 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.969 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.83 -48.21 77.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.606 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.9 -37.16 85.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.612 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.7 m -68.67 -41.74 78.86 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.551 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.23 -47.94 82.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.899 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.33 -39.05 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.639 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -62.45 -45.87 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.986 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -72.96 -40.47 65.31 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.649 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 12.0 t-160 -58.47 -42.38 87.33 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.37 -47.91 80.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.42 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.503 ' O ' ' HD3' ' A' ' 106' ' ' ARG . 15.0 mm-40 -60.2 -44.18 95.35 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.226 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.599 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 3.1 m-20 -63.26 -41.73 99.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.217 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.465 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 35.3 mm-40 -67.2 -37.13 83.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.698 0.285 . . . . 0.0 110.996 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -63.66 -35.34 80.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.785 0.326 . . . . 0.0 110.442 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.599 ' HE ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -66.39 -33.41 75.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.95 174.171 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' HG13 ' A' ' 111' ' ' ILE . 64.3 m170 -64.72 -45.66 85.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.173 175.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' A' ' 112' ' ' GLU . 92.1 t -62.84 -40.46 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.084 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.99 -36.92 70.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.076 175.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.38 -46.67 75.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.942 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.462 HG21 HD13 ' A' ' 8' ' ' LEU . 71.7 mt -67.02 -43.41 89.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.85 -176.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 45.3 mm-40 . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 121.152 0.501 . . . . 0.0 111.014 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.951 0.405 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.89 -49.71 49.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.799 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.787 HD11 HG13 ' A' ' 108' ' ' VAL . 20.5 tp -67.77 -45.31 75.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.112 -175.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -58.67 -35.61 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.404 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.07 -45.47 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.976 0.417 . . . . 0.0 110.59 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.21 -44.22 95.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.488 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.03 -36.25 82.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.662 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 17' ' ' ILE . 50.4 tt0 -63.34 -43.99 96.12 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.86 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.575 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.61 -43.99 98.19 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.724 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 HD21 ' A' ' 101' ' ' LEU . 82.2 mt -58.51 -45.79 90.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.903 0.382 . . . . 0.0 110.618 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -59.18 -46.44 88.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.915 178.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . 75.2 mt -59.42 -47.08 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.683 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.9 mt -58.88 -39.61 81.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.347 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 61.0 mtpt -64.69 -39.48 93.74 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.807 0.337 . . . . 0.0 110.864 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -47.5 77.31 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.044 176.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' ILE . 57.4 t -61.3 -39.94 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.034 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.4 -46.56 88.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.988 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -66.33 -42.97 87.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.481 0.658 . . . . 0.0 109.802 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.75 ' HD2' HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -70.45 -23.13 62.66 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.515 -178.434 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.44 ' O ' ' HB1' ' A' ' 90' ' ' ALA . . . -70.82 -33.1 70.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.257 0.551 . . . . 0.0 109.741 172.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -36.63 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.187 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 46.1 mt-10 -57.02 -52.76 64.0 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 171.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.1 57.76 1.87 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.52 -0.764 . . . . 0.0 114.117 168.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -113.93 120.53 40.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 117.245 0.522 . . . . 0.0 109.929 172.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -56.2 -46.96 79.24 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.49 0.494 . . . . 0.0 111.798 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -67.69 -45.88 73.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.065 -172.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.621 ' CG ' ' HD3' ' A' ' 24' ' ' LYS . 9.4 tp10 -67.45 -38.07 83.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.274 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 25' ' ' ALA . 67.2 mt -65.54 -38.35 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.688 0.28 . . . . 0.0 110.921 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.26 -36.21 81.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.365 0.602 . . . . 0.0 110.068 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -67.58 -41.83 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.046 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.75 HD11 ' HD2' ' A' ' 24' ' ' LYS . 94.9 mt -63.9 -39.47 94.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.49 175.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -55.53 -46.29 77.07 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -59.46 -46.78 87.78 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.027 176.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -64.55 -36.7 85.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.629 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 36' ' ' LEU . 80.6 mt -63.39 -50.76 77.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.472 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.41 HG13 HG23 ' A' ' 78' ' ' ILE . 83.8 t -60.61 -40.19 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.249 0.547 . . . . 0.0 110.01 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -59.18 -46.91 87.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.963 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -47.98 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.185 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.1 mm-40 -59.78 -48.75 80.44 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.965 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -61.76 -36.14 80.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.829 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -61.9 -47.85 83.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.489 . . . . 0.0 110.109 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.92 99.63 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.015 176.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 44' ' ' GLU . 70.6 t -56.66 -45.93 82.72 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 122.241 0.216 . . . . 0.0 110.524 178.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 49' ' ' LYS . 37.3 ttpt -56.36 -43.75 79.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.903 0.382 . . . . 0.0 110.797 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.01 -43.81 92.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.774 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.598 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 29.9 m-85 -66.62 -35.05 79.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.001 177.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.1 mtpp -62.23 -43.81 97.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -57.18 -49.76 74.95 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.492 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.38 77.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.594 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.3 85.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.646 0.26 . . . . 0.0 111.319 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 59.0 mm-40 -76.75 -34.98 58.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.292 0.568 . . . . 0.0 109.751 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -91.47 23.56 3.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.542 176.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.01 117.3 2.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.08 0.466 . . . . 0.0 110.989 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -91.3 -21.29 21.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.338 -175.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 18.7 m120 -135.52 138.79 29.38 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 43.4 Cg_exo -58.03 -43.08 51.4 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.962 2.441 . . . . 0.0 112.491 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 3.8 mp0 -62.85 -45.94 90.24 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 121.652 0.739 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -71.39 -25.02 62.18 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.711 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.473 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -60.95 -40.43 93.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.145 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 78.2 mt-30 -66.73 -42.16 86.71 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.8 -50.54 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.038 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 67.1 mt -63.57 -38.32 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.644 178.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.428 ' HB2' HH11 ' A' ' 64' ' ' ARG . 14.9 t70 -58.49 -49.33 77.76 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.101 0.476 . . . . 0.0 111.291 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 65' ' ' GLN . 48.6 mmtt -67.35 -38.38 84.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.428 -177.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 70.5 mt -67.11 -42.85 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.287 176.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.598 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -60.13 -40.61 90.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.18 -179.719 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -61.7 -44.37 97.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 17.3 m-20 -60.61 -44.46 96.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.448 178.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 38.6 mm-40 -66.02 -44.07 85.76 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.051 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.3 -38.7 77.56 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 121.708 0.766 . . . . 0.0 109.682 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.7 ttmt -66.08 -41.59 90.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.945 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -60.6 -43.39 97.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.607 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.41 HG23 HG13 ' A' ' 41' ' ' VAL . 73.8 mt -57.65 -41.14 78.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.137 176.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -41.91 96.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.655 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.496 ' HB3' HD11 ' A' ' 96' ' ' LEU . 43.2 m0 -61.9 -47.34 85.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 111.33 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -70.47 -31.09 68.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.071 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.57 -45.89 81.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.945 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.23 69.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.049 0.452 . . . . 0.0 111.1 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.893 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.56 -49.34 77.04 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -174.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' HB2' HE21 ' A' ' 92' ' ' GLN . 0.0 OUTLIER -69.84 -30.42 67.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.793 -179.05 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -68.23 -43.9 76.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.47 77.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.804 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.5 m -60.96 -43.03 99.33 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.743 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 80' ' ' TRP . 55.8 tp -62.47 -47.39 84.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.509 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.414 HG13 HD22 ' A' ' 18' ' ' LEU . 89.6 t -61.62 -40.19 85.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.991 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -60.07 -46.02 90.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.031 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -72.84 -35.17 67.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.503 HD21 HG23 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -57.77 -43.96 85.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.51 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 14.8 mm-40 -62.6 -37.42 86.15 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.472 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.33 -49.45 71.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.158 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -62.84 -36.04 81.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 47.6 mt-30 -63.65 -38.92 92.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.589 0.233 . . . . 0.0 110.762 177.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.6 ttp85 -67.23 -33.45 75.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.789 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -63.83 -45.53 89.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.787 HG13 HD11 ' A' ' 8' ' ' LEU . 99.4 t -59.25 -41.11 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.26 174.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 58.0 mm-40 -57.44 -37.88 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.699 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.65 -46.99 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.038 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.6 mt -62.4 -42.12 94.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.078 0.466 . . . . 0.0 110.812 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 N--CA 1.448 -0.54 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.001 178.19 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 1.7 mp0 . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 121.289 0.566 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.92 -42.24 73.58 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.932 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.46 HD11 HG13 ' A' ' 108' ' ' VAL . 46.8 tp -60.35 -51.19 70.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.209 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 6' ' ' GLU . 5.9 ptpp? -61.82 -35.69 78.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.51 89.0 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.935 0.397 . . . . 0.0 110.714 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.64 -45.6 93.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.739 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -67.25 -30.46 70.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.86 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 17' ' ' ILE . 26.3 tp60 -65.48 -42.43 92.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.951 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.79 -43.16 98.11 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.851 176.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.11 -40.84 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.453 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.26 -47.18 86.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.533 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 21' ' ' VAL . 85.2 mt -61.87 -44.26 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.811 177.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.0 mt -58.43 -44.16 89.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.706 0.288 . . . . 0.0 111.059 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -63.82 -38.92 92.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.092 0.472 . . . . 0.0 110.703 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -62.68 -46.4 88.32 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.086 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 17' ' ' ILE . 46.9 t -65.59 -39.79 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.02 -38.22 85.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.034 0.445 . . . . 0.0 110.383 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 9.0 tmtm? -67.75 -50.59 56.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.469 0.652 . . . . 0.0 109.716 176.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.754 ' HA ' ' HG3' ' A' ' 27' ' ' GLU . 42.9 mttm -65.39 -22.8 66.83 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.896 -1.047 . . . . 0.0 112.765 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -62.19 -30.18 70.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.188 0.518 . . . . 0.0 109.86 172.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 64.4 mmtt -75.88 -28.07 57.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.457 177.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.754 ' HG3' ' HA ' ' A' ' 24' ' ' LYS . 46.2 mt-10 -62.29 -39.63 93.62 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.5 23.25 12.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 114.567 169.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -102.15 121.1 41.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.653 0.726 . . . . 0.0 110.373 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -70.47 -36.9 74.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.495 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.69 -33.63 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.0 0.428 . . . . 0.0 110.232 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.484 ' CD ' HH21 ' A' ' 35' ' ' ARG . 7.3 tp10 -59.41 -44.77 92.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.828 174.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 25' ' ' ALA . 93.2 mt -59.31 -44.01 92.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.98 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.75 95.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.974 0.416 . . . . 0.0 111.065 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.484 HH21 ' CD ' ' A' ' 32' ' ' GLU . 39.0 ttp180 -66.12 -42.62 88.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.57 ' HB3' HG22 ' A' ' 21' ' ' VAL . 82.9 mt -66.36 -38.75 88.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.149 178.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.3 t30 -60.38 -41.92 94.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.9 0.381 . . . . 0.0 109.981 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -63.54 -36.82 85.05 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.794 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.563 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 6.2 tp10 -61.38 -41.47 97.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.225 0.536 . . . . 0.0 109.759 178.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.39 -46.96 93.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.516 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 37' ' ' ASN . 98.5 t -57.48 -42.22 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.965 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.563 ' HD3' ' HA ' ' A' ' 39' ' ' GLU . 50.4 mtpt -57.58 -46.38 84.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.167 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.86 -47.33 69.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 -177.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . 10.9 mm-40 -62.19 -45.22 94.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -60.59 -46.06 91.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.072 0.463 . . . . 0.0 109.809 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.485 ' O ' HG23 ' A' ' 50' ' ' VAL . 23.0 tp60 -61.38 -43.19 99.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.218 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.69 -45.93 94.07 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.436 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 44' ' ' GLU . 99.6 t -57.49 -43.1 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.85 -43.82 97.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.677 178.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 46' ' ' GLN . 47.5 t -70.43 -39.85 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.87 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.01 -33.81 76.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.627 0.251 . . . . 0.0 110.803 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -58.84 -45.52 89.86 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.47 -37.7 86.95 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.147 176.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.11 -33.97 72.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.351 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.86 81.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.079 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.46 -6.01 56.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.238 0.542 . . . . 0.0 110.275 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -109.19 26.3 10.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.015 172.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.57 91.4 1.83 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.863 0.363 . . . . 0.0 111.242 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -74.5 -12.03 60.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.287 0.565 . . . . 0.0 110.397 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.965 ' HB3' ' HD3' ' A' ' 63' ' ' LYS . 32.3 m-80 -129.87 124.93 21.9 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.982 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.49 -42.49 5.15 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.823 2.349 . . . . 0.0 113.977 -176.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -45.77 66.46 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.853 0.835 . . . . 0.0 110.181 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.965 ' HD3' ' HB3' ' A' ' 60' ' ' ASN . 9.4 mptt -63.47 -21.43 66.31 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.3 -1.318 . . . . 0.0 111.077 178.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -65.68 -37.78 87.44 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -36.78 69.38 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.671 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 70' ' ' ILE . 58.3 t -61.77 -45.81 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.029 175.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.49 -46.09 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.297 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.17 -40.23 80.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.062 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.426 ' HG2' ' OD2' ' A' ' 73' ' ' ASP . 53.3 tttm -63.29 -47.11 83.7 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.406 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 66' ' ' VAL . 77.4 mt -62.53 -39.86 86.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.173 0.511 . . . . 0.0 109.885 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.71 -42.72 84.36 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.268 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -69.16 -45.04 71.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.438 177.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD2' ' HG2' ' A' ' 69' ' ' LYS . 33.8 m-20 -58.48 -51.5 69.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.435 -178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 78' ' ' ILE . 16.9 mm-40 -63.92 -38.1 89.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.82 -177.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -60.45 -42.56 96.41 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 121.729 0.776 . . . . 0.0 109.89 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 33.2 ttmt -67.59 -37.49 82.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.203 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 60.1 m170 -58.85 -49.81 76.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.329 176.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.661 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 56.1 mt -57.15 -42.92 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.198 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -56.6 -41.92 77.83 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.454 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -64.64 -45.31 87.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.123 0.487 . . . . 0.0 110.891 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.43 ' HD2' ' O ' ' A' ' 77' ' ' HIS . 82.9 m-70 -68.47 -28.07 66.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.309 -175.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 94.1 mttt -56.92 -50.59 72.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 110.507 178.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.35 -35.07 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.43 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.59 -176.377 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.256 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.46 -50.14 74.0 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -173.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -73.64 -30.69 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.06 0.457 . . . . 0.0 111.348 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -72.5 -37.53 68.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.44 -37.18 74.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.061 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.1 m -68.0 -41.54 82.11 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.59 -47.8 82.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.574 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 88.5 t -61.39 -44.97 99.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.962 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -65.18 -43.28 92.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.308 . . . . 0.0 111.065 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.54 -43.9 97.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.133 0.492 . . . . 0.0 110.53 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.4 t-160 -66.27 -46.2 77.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.154 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 97' ' ' VAL . 2.2 tt -57.32 -46.2 83.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.027 -175.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -62.61 -34.09 76.32 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.6 -42.14 74.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.124 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -65.23 -33.88 77.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.498 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -60.16 -43.02 96.13 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.037 176.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.2 ttt-85 -67.31 -35.56 79.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.456 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -60.46 -51.71 68.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.008 0.432 . . . . 0.0 110.023 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.46 HG13 HD11 ' A' ' 8' ' ' LEU . 97.0 t -60.63 -43.97 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.527 177.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.49 -38.75 75.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.495 177.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -70.09 -39.86 75.33 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.445 ' HB ' HD13 ' A' ' 8' ' ' LEU . 69.4 mt -72.58 -50.12 36.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.434 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--N 1.327 -0.398 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -175.745 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.968 0.413 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.0 tp -69.7 -42.53 73.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.455 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.584 HD11 HG13 ' A' ' 108' ' ' VAL . 32.9 tp -65.52 -49.5 68.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.62 -177.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -62.75 -35.02 78.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.322 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.77 94.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.94 0.4 . . . . 0.0 111.111 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.39 -41.73 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.344 0.592 . . . . 0.0 110.315 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.33 -26.52 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.108 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.43 -43.71 96.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.286 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.28 -39.86 98.27 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.759 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.602 HG23 HD11 ' A' ' 101' ' ' LEU . 76.9 mt -60.72 -42.1 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 110.756 176.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.1 -42.67 99.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.445 0.64 . . . . 0.0 110.028 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 21' ' ' VAL . 77.6 mt -61.65 -42.46 94.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.762 175.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.507 HD22 HG13 ' A' ' 97' ' ' VAL . 93.2 mt -61.2 -38.67 87.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.762 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -60.23 -42.05 94.4 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.556 0.693 . . . . 0.0 110.644 174.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.96 -43.38 79.16 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.116 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 17' ' ' ILE . 90.7 t -61.49 -40.55 86.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.783 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.64 -38.26 87.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.062 0.458 . . . . 0.0 110.602 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -66.58 -49.81 65.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 109.647 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.612 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 60.7 mttm -65.25 -22.17 66.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.053 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -65.34 -33.62 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.03 0.443 . . . . 0.0 110.341 174.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -74.86 -28.41 60.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.464 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.612 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 30.1 mm-40 -55.84 -47.47 77.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 175.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.85 64.21 1.9 Allowed Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.7 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.534 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.1 t70 -135.74 130.33 33.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.621 0.211 . . . . 0.0 110.652 175.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.15 -50.54 73.27 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.434 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -62.16 -43.23 99.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.864 -174.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.56 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 41.2 mm-40 -60.81 -49.63 76.72 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.951 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 86.4 mt -61.79 -42.81 99.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.123 -178.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.2 98.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.073 0.463 . . . . 0.0 110.618 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -65.59 -44.02 87.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.244 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 95.9 mt -63.0 -43.99 97.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.255 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -56.35 -48.18 77.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -36.58 79.29 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 177.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.89 -39.49 89.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.175 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 36' ' ' LEU . 88.8 mt -60.05 -49.26 84.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.139 175.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.654 HG13 HG23 ' A' ' 78' ' ' ILE . 57.8 t -58.08 -42.05 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.414 177.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -62.0 -44.68 96.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.424 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.82 -44.95 94.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.664 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -59.2 -49.51 77.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.457 177.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -61.92 -38.88 90.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.148 -175.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.33 -48.45 80.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.281 0.562 . . . . 0.0 110.185 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.43 -37.57 90.3 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.587 HG11 ' OE2' ' A' ' 75' ' ' GLU . 48.3 t -56.47 -47.56 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -65.18 -36.48 84.33 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.299 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.27 -41.83 93.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.263 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -62.68 -39.43 93.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.645 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.49 -44.08 97.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.719 0.295 . . . . 0.0 110.659 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -66.31 -37.97 86.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.24 77.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.79 76.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.121 0.486 . . . . 0.0 110.656 176.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -74.07 -31.52 62.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.14 176.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -82.07 -2.25 51.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.336 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.59 110.5 4.85 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.164 0.507 . . . . 0.0 110.468 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -83.3 20.23 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.626 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.478 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 14.7 t-20 -164.78 126.35 1.46 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.633 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.09 -37.62 82.94 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.206 2.604 . . . . 0.0 113.196 -175.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.478 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 30.3 mt-10 -62.04 -43.99 97.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.491 0.662 . . . . 0.0 110.328 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -61.76 -39.08 90.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.986 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -66.31 -36.74 83.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.945 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.44 -41.77 81.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.801 0.334 . . . . 0.0 110.36 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.8 t -60.08 -51.18 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.389 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.35 -42.2 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.523 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.4 -43.78 96.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.836 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.799 ' HE2' ' HA ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -60.74 -44.53 96.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.299 177.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.479 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 77.6 mt -61.35 -42.98 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.07 176.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.42 -48.06 77.76 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.226 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.98 -44.27 97.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.504 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 19.8 m-20 -65.58 -42.05 92.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.555 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 12.2 mm-40 -66.13 -43.21 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.219 -0.301 . . . . 0.0 110.379 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.587 ' OE2' HG11 ' A' ' 48' ' ' VAL . 18.2 mm-40 -58.54 -34.94 71.57 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.462 0.648 . . . . 0.0 110.205 174.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 33.0 ttmt -67.94 -44.34 77.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.379 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 65.4 m170 -58.5 -43.14 88.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.767 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.654 HG23 HG13 ' A' ' 41' ' ' VAL . 76.8 mt -56.25 -41.42 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.956 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.505 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 39.9 tt0 -64.4 -40.1 95.15 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.935 -178.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -60.34 -45.63 92.77 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.226 0.536 . . . . 0.0 110.312 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -69.46 -30.19 68.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.647 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 45.8 mtmt -62.91 -41.19 99.36 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.457 175.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.23 86.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.245 0.545 . . . . 0.0 110.396 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.964 176.894 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.213 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mp0 -63.27 -49.98 71.95 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.052 0.453 . . . . 0.0 110.58 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -68.25 -32.66 73.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.074 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -68.14 -43.69 77.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.061 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.98 99.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.544 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.5 m -65.96 -40.04 90.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.816 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.68 -47.41 86.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.882 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.507 HG13 HD22 ' A' ' 18' ' ' LEU . 85.9 t -62.51 -46.76 95.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.676 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.17 -45.6 92.54 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.203 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.91 -37.88 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.419 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -63.45 -43.51 97.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.109 0.48 . . . . 0.0 109.749 177.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 15' ' ' ILE . 39.3 tp -57.4 -39.1 75.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.258 -178.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -57.06 -44.61 83.18 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.783 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.32 -41.72 72.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.996 0.427 . . . . 0.0 110.641 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.428 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 51.3 mm-40 -63.28 -40.85 98.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.501 -177.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 92.1 mt-30 -63.31 -32.76 74.26 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.906 0.384 . . . . 0.0 110.512 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 106' ' ' ARG . 0.4 OUTLIER -72.98 -35.72 66.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.74 178.182 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.405 ' O ' HG13 ' A' ' 111' ' ' ILE . 56.1 m170 -57.55 -52.31 65.93 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.584 HG13 HD11 ' A' ' 8' ' ' LEU . 97.1 t -58.56 -43.87 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.033 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.87 -43.31 77.01 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.388 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.57 -48.14 50.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.79 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 107' ' ' HIS . 83.3 mt -60.08 -40.9 84.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.175 -175.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 108' ' ' VAL . 47.3 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 111.424 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.028 0.442 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.12 -36.97 78.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.378 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.804 HD11 HG13 ' A' ' 108' ' ' VAL . 27.1 tp -55.32 -34.26 64.03 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.351 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -57.49 -36.05 71.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.648 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.31 -45.53 90.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.945 -177.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -65.6 -43.39 89.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.238 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -67.75 -29.15 68.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.545 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -61.02 -43.84 98.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.0 110.324 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.567 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -72.14 -39.71 57.63 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.771 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.612 HG23 HD11 ' A' ' 101' ' ' LEU . 69.0 mt -58.38 -42.42 83.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.629 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -59.26 -46.28 88.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.007 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.557 ' O ' HG23 ' A' ' 21' ' ' VAL . 90.3 mt -62.18 -47.28 93.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.931 176.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.569 HD22 HG13 ' A' ' 97' ' ' VAL . 96.3 mt -58.46 -43.01 88.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.754 -176.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 13.3 mmmm -66.81 -34.56 78.09 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.99 0.424 . . . . 0.0 111.05 177.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.509 ' OE2' ' HE2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -68.5 -40.69 80.78 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.991 176.484 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 17' ' ' ILE . 99.1 t -61.0 -39.84 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.795 177.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.09 -38.28 79.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.961 0.41 . . . . 0.0 110.729 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -67.49 -50.38 59.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.94 0.876 . . . . 0.0 109.841 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.509 ' HE2' ' OE2' ' A' ' 20' ' ' GLU . 68.5 mttm -62.2 -25.08 67.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.204 -1.362 . . . . 0.0 111.888 -177.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.7 92.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.723 177.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.543 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 7.2 tmtt? -74.24 -37.76 63.7 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' OE2' ' HA ' ' A' ' 24' ' ' LYS . 40.0 mt-10 -57.67 -44.13 85.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.844 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.66 60.16 3.53 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.701 170.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 12.4 t70 -111.12 123.56 50.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -60.71 -51.33 69.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.655 -175.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -62.75 -40.83 98.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.628 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 7.1 tp10 -60.56 -49.71 76.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.525 177.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.536 HD23 HD12 ' A' ' 36' ' ' LEU . 93.1 mt -60.87 -40.37 92.71 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.245 -178.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.81 -43.37 98.99 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.048 0.451 . . . . 0.0 110.55 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -66.14 -39.37 89.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.278 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 92.4 mt -58.7 -47.3 85.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.231 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.574 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.9 t30 -57.37 -47.79 80.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.131 0.491 . . . . 0.0 109.973 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -37.63 88.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.411 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.06 -43.08 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.12 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 36' ' ' LEU . 76.2 mt -62.96 -45.15 99.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.479 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 37' ' ' ASN . 39.2 t -59.16 -45.34 92.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.006 0.431 . . . . 0.0 110.436 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -35.48 81.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.235 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.39 -47.48 76.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.668 0.271 . . . . 0.0 110.677 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.2 mm-40 -63.5 -43.55 96.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.21 176.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -58.8 -38.13 77.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.912 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -62.97 -47.6 82.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.448 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.464 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -70.05 -46.93 48.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.08 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.515 HG21 HD11 ' A' ' 78' ' ' ILE . 86.6 t -57.76 -36.43 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 0.0 111.305 -176.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -55.74 -49.06 74.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.556 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.3 t -70.93 -42.15 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.025 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.589 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 31.0 m-85 -58.56 -43.17 89.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.002 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -39.56 93.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.165 0.507 . . . . 0.0 109.855 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.4 -42.36 79.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.206 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.74 76.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.524 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.52 -33.93 70.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.959 0.409 . . . . 0.0 111.478 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -85.52 -11.7 53.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.023 0.44 . . . . 0.0 111.061 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -100.29 1.39 41.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.229 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.74 112.14 4.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.299 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -83.42 -2.43 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.037 -178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -133.32 124.53 18.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.048 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.13 -35.24 42.9 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.034 2.489 . . . . 0.0 113.478 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.55 -44.76 66.8 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.336 0.589 . . . . 0.0 109.898 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -63.3 -36.34 83.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.955 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.6 ttp85 -61.58 -38.98 89.54 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.554 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -39.98 96.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.389 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.5 -50.43 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.323 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.71 -41.56 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.741 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.71 -43.65 98.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.618 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -60.91 -44.02 97.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.465 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.0 mt -64.96 -40.99 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.589 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 2.7 mt -57.05 -40.68 77.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.855 178.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.75 -44.98 93.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.422 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.45 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 10.7 m-20 -69.81 -43.62 71.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.923 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.45 ' O ' HG13 ' A' ' 78' ' ' ILE . 24.5 mm-40 -62.77 -44.15 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -57.89 -42.3 84.34 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 121.037 0.446 . . . . 0.0 110.063 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HB2' ' HZ2' ' A' ' 76' ' ' LYS . 3.1 ttmp? -62.42 -42.78 99.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.196 178.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 66.7 m170 -57.28 -43.71 83.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.235 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.515 HD11 HG21 ' A' ' 48' ' ' VAL . 59.3 mt -56.41 -39.79 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.098 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -59.78 -41.98 92.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.73 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 30.5 m0 -60.84 -46.34 90.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.178 0.513 . . . . 0.0 110.683 -177.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -70.99 -33.51 70.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.495 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -64.48 -37.99 89.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.935 0.397 . . . . 0.0 110.506 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.11 89.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.145 179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.638 176.44 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -61.97 -48.38 80.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.252 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -62.85 -42.31 99.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 97' ' ' VAL . 39.5 t80 -64.68 -43.98 91.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.4 -178.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.89 -35.31 80.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.1 t -68.44 -41.0 80.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.931 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.56 -46.31 90.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.12 0.486 . . . . 0.0 110.094 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.569 HG13 HD22 ' A' ' 18' ' ' LEU . 65.2 t -58.13 -45.09 88.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.88 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.75 -44.98 94.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.265 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -62.47 -41.0 98.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.348 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.524 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -66.3 -43.12 87.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.69 177.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 15' ' ' ILE . 57.5 tp -56.57 -46.12 80.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.906 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -56.73 -44.35 81.58 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.454 -178.396 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' A' ' 106' ' ' ARG . 2.9 t70 -67.89 -39.25 83.7 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.45 -176.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.47 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 41.4 mm-40 -66.21 -36.56 83.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 44.3 mt-30 -66.14 -35.91 81.73 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.531 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 68.2 mtt180 -62.33 -37.2 84.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.943 0.401 . . . . 0.0 110.33 175.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.456 ' O ' HG13 ' A' ' 111' ' ' ILE . 52.9 m170 -64.3 -41.76 96.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.736 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.804 HG13 HD11 ' A' ' 8' ' ' LEU . 97.8 t -64.51 -39.9 87.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 175.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 71.5 mm-40 -56.85 -44.98 82.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.893 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -71.17 -31.07 67.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.472 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 107' ' ' HIS . 71.4 mt -72.78 -49.17 42.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.789 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.92 -42.39 94.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.336 0.589 . . . . 0.0 110.025 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.603 HD11 HG13 ' A' ' 108' ' ' VAL . 22.0 tp -58.69 -36.2 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.072 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.437 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 49.9 mtpt -57.29 -35.52 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.915 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.49 86.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.505 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.26 -44.37 97.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.102 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 93.7 mt-30 -59.35 -42.91 92.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -61.19 -43.84 98.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.779 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.581 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.14 -43.96 92.16 Favored Glycine 0 C--O 1.224 -0.509 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.155 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.519 HG23 HD11 ' A' ' 101' ' ' LEU . 62.4 mt -58.65 -41.38 82.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.157 0.503 . . . . 0.0 110.551 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -58.32 -48.14 81.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.023 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 21' ' ' VAL . 79.8 mt -65.15 -40.56 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.15 177.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.631 HD22 HG13 ' A' ' 97' ' ' VAL . 94.0 mt -60.17 -41.42 92.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.605 0.241 . . . . 0.0 110.952 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -65.11 -38.54 91.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.149 0.499 . . . . 0.0 110.807 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.13 -38.59 82.38 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.259 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.4 t -71.76 -39.7 68.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.644 176.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.0 tp -59.03 -37.21 76.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.191 0.52 . . . . 0.0 110.018 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -61.92 -50.01 73.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.785 175.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.547 ' HD3' HD11 ' A' ' 36' ' ' LEU . 57.9 mttm -68.33 -24.16 64.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.376 -177.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.94 67.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.146 0.498 . . . . 0.0 110.353 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -76.25 -33.8 59.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.079 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -62.32 -47.13 85.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.795 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.96 54.92 3.45 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.497 -0.774 . . . . 0.0 113.36 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.647 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.1 t70 -102.47 110.6 22.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 173.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -53.98 -55.13 29.99 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.226 -173.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -67.6 -41.32 84.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -175.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.8 tt0 -64.05 -38.59 91.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.579 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 71.3 mt -57.0 -44.42 82.74 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.5 -36.74 84.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.288 0.566 . . . . 0.0 110.587 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 ttt85 -65.8 -45.8 81.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.471 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD11 ' HD3' ' A' ' 24' ' ' LYS . 85.6 mt -59.47 -39.23 83.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.588 176.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -55.41 -48.11 74.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.176 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -65.91 -36.18 82.66 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.035 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.8 -41.23 99.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.437 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 36' ' ' LEU . 75.4 mt -61.0 -48.31 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.655 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.14 -38.3 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.617 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.93 -43.18 95.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.888 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.35 82.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mm-40 -60.2 -42.77 95.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.42 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.06 -40.2 84.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.924 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -65.29 -46.95 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 0.0 110.282 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.52 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -58.83 -40.93 95.74 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.408 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.476 HG13 HD21 ' A' ' 71' ' ' LEU . 43.7 t -56.09 -39.05 56.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.866 0.365 . . . . 0.0 111.097 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.94 -41.59 95.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.8 t -65.72 -46.53 88.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.863 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.619 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 49.5 m-85 -62.44 -41.24 98.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.202 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -59.1 -45.25 91.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.248 0.547 . . . . 0.0 109.936 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -43.04 99.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.567 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.19 -33.79 63.54 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.33 75.55 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -83.77 4.65 28.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.977 0.418 . . . . 0.0 111.153 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -99.11 -13.15 19.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.447 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.44 94.78 3.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.535 -172.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -70.9 -34.83 71.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.222 170.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 20.7 t-20 -83.59 126.02 72.22 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.25 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 34.4 Cg_exo -60.64 -37.33 80.31 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.309 2.673 . . . . 0.0 113.267 -176.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -62.71 -43.31 99.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.789 0.328 . . . . 0.0 110.826 -179.701 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.61 -40.72 97.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.426 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.13 -50.85 71.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 65' ' ' GLN . 6.5 tp60 -61.84 -46.72 88.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.525 -174.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.42 -52.72 57.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.927 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.26 -44.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.04 -48.28 79.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.23 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.942 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -70.96 -36.36 72.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.55 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.49 -38.49 82.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.619 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -56.45 -47.03 80.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.147 175.442 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.82 -40.74 85.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.88 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 9.0 m-20 -63.6 -40.09 96.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -68.03 -37.48 81.4 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.163 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 60.6 mm-40 -57.95 -41.01 81.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.87 0.843 . . . . 0.0 109.65 173.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 32.4 ttmt -63.89 -35.9 82.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.061 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -66.71 -41.77 87.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.727 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.38 -39.33 85.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.194 0.521 . . . . 0.0 109.733 175.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -60.79 -42.16 97.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.779 176.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.429 ' HB3' HD11 ' A' ' 96' ' ' LEU . 50.4 m0 -62.48 -45.57 92.44 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.868 0.366 . . . . 0.0 110.621 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.544 ' HA ' HD21 ' A' ' 96' ' ' LEU . 6.1 m80 -65.41 -45.75 82.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.296 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -62.98 -34.91 78.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 0.0 111.366 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.39 -50.56 30.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.474 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -173.847 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -61.16 -49.42 77.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.964 0.411 . . . . 0.0 111.27 -176.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.79 -30.31 68.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.25 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.95 -48.05 72.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.423 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.82 88.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.8 m -62.86 -40.59 97.94 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.812 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.544 HD21 ' HA ' ' A' ' 81' ' ' HIS . 57.7 tp -62.61 -47.49 83.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.526 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.631 HG13 HD22 ' A' ' 18' ' ' LEU . 89.0 t -66.56 -37.94 80.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.25 -178.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -64.88 -41.38 95.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.639 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 99' ' ' GLN . 9.9 mm-40 -67.47 -38.22 84.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.392 . . . . 0.0 110.868 176.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.455 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 21.0 t-160 -61.24 -45.13 95.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.763 176.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.519 HD11 HG23 ' A' ' 15' ' ' ILE . 49.3 tp -58.41 -42.02 86.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.12 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -44.62 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.654 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -46.07 65.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.92 0.39 . . . . 0.0 110.659 -178.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 31.4 mm-40 -62.81 -33.66 75.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.115 -176.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -64.13 -35.77 81.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.128 0.489 . . . . 0.0 110.127 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -70.72 -35.12 72.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.326 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -59.82 -50.26 74.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.852 177.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.603 HG13 HD11 ' A' ' 8' ' ' LEU . 94.8 t -58.66 -45.16 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.25 -46.49 82.98 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.503 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.9 -46.12 58.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.538 -175.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.425 ' HB ' HD13 ' A' ' 8' ' ' LEU . 85.7 mt -59.26 -36.84 65.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.738 0.304 . . . . 0.0 111.619 -176.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.801 179.054 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.083 0.468 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.477 HD11 ' CZ ' ' A' ' 51' ' ' TYR . 22.0 tp -67.22 -44.97 78.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.78 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.582 HD11 HG13 ' A' ' 108' ' ' VAL . 30.7 tp -62.19 -47.21 85.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.449 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.91 -36.38 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.16 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.05 -46.07 79.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.954 0.407 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -66.38 -39.44 89.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.753 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -68.59 -32.45 72.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.061 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -68.5 -40.92 80.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.854 177.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.91 -40.62 95.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.455 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.593 HG23 HD11 ' A' ' 101' ' ' LEU . 67.2 mt -58.91 -45.16 92.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.569 0.223 . . . . 0.0 110.419 174.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -58.79 -45.39 89.96 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 21' ' ' VAL . 75.0 mt -60.8 -44.98 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.856 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.589 HD22 HG13 ' A' ' 97' ' ' VAL . 96.1 mt -63.38 -38.64 91.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.698 0.285 . . . . 0.0 111.047 177.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 7.0 mmpt? -62.75 -38.53 90.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.028 0.442 . . . . 0.0 110.471 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 8.9 tp10 -65.21 -46.66 79.79 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.653 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.56 ' HA ' HD13 ' A' ' 36' ' ' LEU . 60.6 t -61.61 -40.1 85.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.949 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.52 -41.0 98.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.028 0.442 . . . . 0.0 110.257 177.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -61.81 -51.25 69.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.009 0.909 . . . . 0.0 110.004 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.739 ' HD2' HD11 ' A' ' 36' ' ' LEU . 60.5 mttm -69.75 -21.97 63.4 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.623 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.23 -28.16 69.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.222 0.534 . . . . 0.0 110.232 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.6 -28.57 58.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.716 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 7.4 mm-40 -54.36 -49.65 69.31 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.966 0.413 . . . . 0.0 110.577 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.0 -5.45 50.22 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.467 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -85.8 123.96 31.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.258 0.529 . . . . 0.0 110.391 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.03 -30.28 58.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.235 -173.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -69.54 -41.36 76.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.022 0.439 . . . . 0.0 110.655 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 12.8 tt0 -62.48 -38.94 91.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.133 177.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.48 -39.02 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.684 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.98 87.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.108 0.48 . . . . 0.0 110.477 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 4.8 tpm_? -59.24 -49.93 75.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.009 174.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.739 HD11 ' HD2' ' A' ' 24' ' ' LYS . 90.0 mt -62.34 -35.89 80.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.703 -178.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -55.15 -44.54 75.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.036 0.446 . . . . 0.0 110.393 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.81 -38.88 87.33 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.799 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.494 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 12.0 tp10 -65.78 -35.13 79.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.317 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.499 HD11 HG21 ' A' ' 21' ' ' VAL . 77.9 mt -63.29 -46.52 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.316 176.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 62.1 t -58.37 -42.97 85.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.199 176.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 39' ' ' GLU . 50.7 mtpt -60.37 -43.68 96.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.467 177.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.55 80.54 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 111.123 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.6 mm-40 -62.65 -42.58 99.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.288 178.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -59.81 -44.06 94.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.492 178.314 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.19 -42.17 99.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.186 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.71 96.0 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.896 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.744 HG13 HD21 ' A' ' 71' ' ' LEU . 70.7 t -57.26 -38.57 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.747 0.308 . . . . 0.0 110.913 177.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.63 -42.79 89.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.068 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.0 t -70.9 -43.21 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 49.4 m-85 -61.06 -41.67 97.05 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.142 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.94 -41.95 92.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.929 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -46.7 87.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.336 177.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.74 -33.31 68.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.754 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.6 -36.67 79.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.989 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -77.64 -19.87 54.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.559 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -93.43 12.99 23.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.943 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.013 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . . . -64.23 118.52 8.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -88.06 -10.56 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.11 0.481 . . . . 0.0 110.344 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.504 HD22 ' HB2' ' A' ' 62' ' ' GLU . 11.5 t30 -161.15 138.83 6.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.743 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -47.49 -32.08 14.83 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 124.337 3.358 . . . . 0.0 114.826 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.504 ' HB2' HD22 ' A' ' 60' ' ' ASN . 29.9 mm-40 -57.06 -38.71 73.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.158 0.504 . . . . 0.0 111.018 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 1.013 ' HD3' ' HA ' ' A' ' 58' ' ' ALA . 64.7 tttp -64.65 -36.77 85.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.33 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.564 ' HE ' ' HB2' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -66.61 -42.14 87.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 -178.624 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -58.62 -43.05 89.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.547 0.213 . . . . 0.0 111.266 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.08 -50.72 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.564 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 93.7 mt -62.23 -46.26 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.863 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.564 ' HB2' ' HE ' ' A' ' 64' ' ' ARG . 20.3 t70 -60.4 -49.01 79.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.488 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 1.015 ' HE2' ' HA ' ' A' ' 69' ' ' LYS . 9.1 mmpt? -65.58 -43.83 88.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.604 -176.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.472 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 68.8 mt -65.52 -40.63 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.323 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.744 HD21 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -57.6 -46.38 84.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.559 177.033 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -65.69 -37.32 86.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.56 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 6.7 m-20 -61.94 -38.6 89.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.688 174.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 37.5 mm-40 -67.24 -42.24 84.31 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 54.3 mm-40 -57.97 -40.54 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.356 0.598 . . . . 0.0 110.106 174.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.6 ttpt -58.58 -40.55 83.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.89 176.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -64.38 -41.27 96.78 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.663 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.7 HG22 ' HE3' ' A' ' 82' ' ' LYS . 44.1 mt -67.02 -37.37 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.428 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.86 -42.13 71.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.271 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.434 ' HB3' HD11 ' A' ' 96' ' ' LEU . 39.5 m0 -65.12 -45.13 86.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -69.22 -29.76 67.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.83 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 78' ' ' ILE . 95.8 mttt -59.36 -40.89 87.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.825 0.345 . . . . 0.0 110.47 175.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.97 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.931 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.009 179.521 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.06 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.34 -48.82 76.39 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.767 0.318 . . . . 0.0 111.218 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -64.5 -40.67 96.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.656 177.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -65.95 -45.77 80.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.719 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.96 90.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.794 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -67.65 -38.2 83.5 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.389 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 80' ' ' TRP . 56.4 tp -61.87 -47.24 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.385 177.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.589 HG13 HD22 ' A' ' 18' ' ' LEU . 72.0 t -62.25 -37.64 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.205 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.52 -41.91 96.1 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.695 0.283 . . . . 0.0 111.015 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -69.5 -40.75 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -58.98 -41.15 86.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.859 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 15' ' ' ILE . 52.6 tp -57.7 -47.37 82.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.393 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.456 ' HB3' HE21 ' A' ' 102' ' ' GLN . 0.0 OUTLIER -56.46 -44.76 80.85 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.534 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.24 -44.82 90.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.237 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -63.64 -38.03 89.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.48 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -62.08 -37.48 85.2 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.403 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 106' ' ' ARG . 15.9 tpt180 -71.89 -32.64 67.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.275 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -61.43 -46.25 90.89 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.582 HG13 HD11 ' A' ' 8' ' ' LEU . 84.8 t -62.26 -40.55 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.536 176.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -57.67 -41.83 82.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.175 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -46.68 88.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.039 0.447 . . . . 0.0 110.025 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.71 -50.75 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -174.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 . . . . . 0 C--N 1.33 -0.281 0 N-CA-C 113.923 1.082 . . . . 0.0 113.923 -166.725 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.892 0.377 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -95.94 -5.76 40.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.834 -175.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 71.43 121.99 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.531 0.681 . . . . 0.0 112.707 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 tt -135.63 -23.2 1.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.167 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' HA ' ' HD3' ' A' ' 5' ' ' ARG . 18.3 mmt180 -60.33 -45.03 94.88 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.56 -31.86 69.06 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.991 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.27 -46.32 89.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.087 0.47 . . . . 0.0 110.08 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD11 HG13 ' A' ' 108' ' ' VAL . 36.7 tp -62.36 -46.28 89.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.362 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -58.32 -36.06 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.568 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.57 -46.11 87.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.947 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.94 -42.19 94.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.172 177.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -61.21 -39.33 89.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.093 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -62.0 -44.15 97.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.201 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.12 -42.26 94.54 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.776 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.541 HG23 HD11 ' A' ' 101' ' ' LEU . 68.1 mt -58.55 -43.37 86.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.88 0.371 . . . . 0.0 110.489 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -59.18 -47.99 83.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.104 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.57 HD13 ' HG3' ' A' ' 39' ' ' GLU . 95.1 mt -62.88 -44.67 99.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.085 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.9 mt -58.51 -45.34 89.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.881 0.372 . . . . 0.0 110.989 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -64.65 -35.89 82.49 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 121.273 0.559 . . . . 0.0 110.646 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.02 -44.98 78.89 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.205 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.549 HG13 HD13 ' A' ' 36' ' ' LEU . 95.4 t -63.91 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.248 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.32 -39.81 84.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.098 0.475 . . . . 0.0 110.741 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -65.23 -50.85 64.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.757 0.789 . . . . 0.0 109.392 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' HG2' ' OE1' ' A' ' 27' ' ' GLU . 49.6 mttm -65.86 -22.58 66.54 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.722 -176.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.68 74.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.279 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 31.0 mmtm -76.56 -29.05 56.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.329 175.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' OE1' ' HG2' ' A' ' 24' ' ' LYS . 98.3 mt-10 -58.63 -40.2 82.68 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 173.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.98 58.61 4.68 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.533 -0.758 . . . . 0.0 114.471 168.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.584 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.2 t70 -122.84 131.55 53.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.019 0.41 . . . . 0.0 110.399 171.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -61.16 -48.48 81.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.526 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -62.4 -41.78 98.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.307 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.7 tp10 -60.08 -47.54 85.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.455 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 88.8 mt -59.32 -42.16 90.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.615 0.245 . . . . 0.0 111.282 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.5 98.3 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.118 0.485 . . . . 0.0 110.476 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -59.93 -47.49 85.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.834 176.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 96.3 mt -59.04 -46.02 89.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.494 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 41' ' ' VAL . 67.1 t30 -60.01 -44.55 94.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.2 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -63.79 -37.27 86.74 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.43 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.57 ' HG3' HD13 ' A' ' 17' ' ' ILE . 5.9 tp10 -60.79 -45.17 95.45 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.273 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.458 HD11 HG21 ' A' ' 21' ' ' VAL . 70.6 mt -64.32 -50.68 75.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.858 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 37' ' ' ASN . 79.4 t -57.53 -44.78 85.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.036 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.62 -43.22 93.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.131 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.6 -47.82 65.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.992 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.4 mm-40 -59.97 -43.51 95.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.02 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -62.23 -42.03 98.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.383 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -66.39 -38.26 87.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.114 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.45 -45.42 94.44 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.998 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 44' ' ' GLU . 66.3 t -57.62 -39.96 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.072 0.463 . . . . 0.0 110.688 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.41 -44.7 95.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.762 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.21 -45.45 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -64.71 -34.94 79.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.56 ' HE2' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -62.45 -43.65 98.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.008 0.432 . . . . 0.0 110.074 175.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.6 -46.52 89.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.025 176.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.82 76.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.701 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.42 88.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.266 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -74.54 -30.04 61.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.275 0.559 . . . . 0.0 110.017 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -89.48 10.53 22.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.22 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.17 123.74 22.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.481 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.418 ' H ' ' HG2' ' A' ' 59' ' ' ARG . 8.5 ptt180 -70.69 -47.61 58.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.527 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.67 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . 2.0 m-20 -108.84 139.07 20.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.34 -27.49 84.96 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.477 2.118 . . . . 0.0 111.025 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.85 -45.59 93.14 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.228 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.67 ' HG2' ' HB2' ' A' ' 60' ' ' ASN . 60.6 mmtt -73.92 -32.18 63.42 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.842 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -64.53 -36.32 83.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -54.56 -47.48 73.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.977 0.417 . . . . 0.0 110.619 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.8 -49.18 84.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.506 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.28 -46.09 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.033 0.444 . . . . 0.0 111.139 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.92 -39.39 91.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.429 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.02 -47.64 85.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.466 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.71 -37.3 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.653 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.471 HD11 ' HA ' ' A' ' 52' ' ' LYS . 6.5 mt -55.14 -45.25 75.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.275 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -69.24 -41.07 77.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.925 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 5.7 m-20 -66.19 -38.29 87.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.24 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.438 ' O ' HG13 ' A' ' 78' ' ' ILE . 49.7 mm-40 -70.56 -40.46 73.35 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.497 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.8 -41.57 82.42 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 121.2 0.524 . . . . 0.0 109.592 172.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 36.9 ttmt -58.07 -43.0 86.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.582 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 65.6 m170 -62.65 -45.2 93.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.551 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.1 mt -57.51 -39.95 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.508 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.9 -41.74 92.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.332 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -64.47 -45.83 85.69 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.194 0.521 . . . . 0.0 110.884 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -69.63 -29.4 66.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.449 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -59.24 -38.2 79.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.535 172.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.09 -40.24 78.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.418 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -29.43 70.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.781 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.4 m -70.78 -13.68 62.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.812 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -93.39 -60.68 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -148.01 151.79 36.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.076 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.26 164.84 32.51 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.831 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -117.3 158.52 24.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.58 -50.66 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.332 0.395 . . . . 0.0 111.85 -175.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.46 -45.7 93.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.009 0.433 . . . . 0.0 111.062 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.54 -39.86 92.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.065 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 97' ' ' VAL . 71.6 t80 -62.61 -47.65 82.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.464 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.03 85.39 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.7 m -67.84 -40.11 83.75 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.718 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.18 -47.36 86.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.144 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 93' ' ' PHE . 90.0 t -58.78 -47.29 89.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.25 -36.91 84.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.197 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -69.79 -42.97 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -58.98 -39.47 81.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.671 176.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.541 HD11 HG23 ' A' ' 15' ' ' ILE . 55.6 tp -56.94 -46.89 81.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.825 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.578 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 16.6 mm-40 -58.69 -39.23 80.16 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.435 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -63.13 -49.51 74.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.257 0.551 . . . . 0.0 110.36 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.438 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 41.5 mm-40 -63.86 -34.59 78.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.166 -177.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 95.6 mt-30 -63.64 -36.49 84.01 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.797 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 62.6 mtt180 -63.91 -43.45 95.92 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 175.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -58.63 -49.22 78.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.003 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.472 HG13 HD11 ' A' ' 8' ' ' LEU . 56.1 t -60.74 -43.57 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.373 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -57.29 -42.97 82.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.2 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.66 -41.55 68.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.857 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.2 mt -72.82 -39.38 59.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.21 -26.67 66.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -82.71 97.02 8.34 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.67 0.747 . . . . 0.0 110.064 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -84.77 84.79 7.57 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.614 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.408 ' C ' HD22 ' A' ' 115' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.814 -0.613 . . . . 0.0 109.517 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptp . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.9 t70 66.19 94.8 0.06 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.903 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -102.81 138.88 39.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.95 -173.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.32 -31.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.229 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -69.22 -41.42 77.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.701 0.286 . . . . 0.0 111.067 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -60.37 -34.49 73.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.364 0.602 . . . . 0.0 109.812 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.52 -43.6 72.72 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.699 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.662 HD11 HG13 ' A' ' 108' ' ' VAL . 32.5 tp -58.53 -42.72 88.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.288 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -61.27 -35.85 78.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.819 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.41 93.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.602 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.4 mm-40 -62.98 -48.01 80.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.422 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.73 -27.43 67.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.289 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -44.8 83.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.365 0.603 . . . . 0.0 109.694 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.84 -34.84 72.14 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.322 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 11' ' ' GLU . 74.7 mt -57.77 -40.26 74.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.62 0.248 . . . . 0.0 110.692 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.661 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 12.7 tmtt? -60.13 -48.16 82.9 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 21' ' ' VAL . 78.8 mt -64.26 -41.56 92.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.104 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 101' ' ' LEU . 97.3 mt -60.63 -39.26 87.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.819 0.343 . . . . 0.0 110.851 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.518 ' HG2' HD11 ' A' ' 101' ' ' LEU . 2.7 mmpt? -64.76 -35.0 79.66 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.195 0.522 . . . . 0.0 110.685 175.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.661 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 5.5 mm-40 -69.32 -47.43 64.49 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.262 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 17' ' ' ILE . 47.5 t -65.84 -38.74 82.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.4 -37.14 74.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.847 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 70.9 tttt -71.32 -51.72 22.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.696 0.76 . . . . 0.0 110.24 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.463 ' CD ' HD11 ' A' ' 36' ' ' LEU . 97.5 mttt -61.84 -23.31 66.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.21 -1.359 . . . . 0.0 112.407 -176.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.537 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -60.39 -43.97 96.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.394 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HE3' ' HB2' ' A' ' 26' ' ' LYS . 18.6 ptmt -76.37 -28.21 56.71 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.805 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -61.09 -37.49 82.89 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 109.955 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.31 48.03 5.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.932 -0.652 . . . . 0.0 114.506 167.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 32' ' ' GLU . 13.6 t70 -107.64 110.17 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 171.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.34 -29.38 68.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.086 -172.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -71.3 -43.65 66.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.577 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 4.1 mm-40 -62.69 -41.66 99.22 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.642 174.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 81.3 mt -58.99 -47.39 85.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.435 0.16 . . . . 0.0 111.272 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.19 91.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.185 0.517 . . . . 0.0 110.377 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -64.3 -41.19 96.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.35 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 98.2 mt -67.58 -41.93 83.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.949 177.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -60.6 -44.66 96.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -43.35 86.94 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.797 172.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.64 -45.79 90.94 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.728 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 36' ' ' LEU . 86.3 mt -60.65 -50.57 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.04 -37.58 77.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.978 0.418 . . . . 0.0 110.486 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -58.88 -46.63 87.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.462 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.42 -47.16 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.228 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.5 mm-40 -59.13 -44.95 92.05 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -59.04 -41.49 87.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.368 178.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -67.68 -41.55 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.912 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.522 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -61.48 -45.82 95.59 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.972 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 44' ' ' GLU . 67.6 t -56.55 -38.79 58.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.755 0.312 . . . . 0.0 110.906 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -62.81 -41.41 99.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.829 0.347 . . . . 0.0 111.008 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.48 -41.85 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.116 0.484 . . . . 0.0 110.491 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 52.7 m-85 -70.18 -37.61 75.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.395 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 52' ' ' LYS . 30.4 mmtp -60.36 -35.18 75.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.518 176.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.4 -51.24 61.69 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.646 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.44 68.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.167 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.56 84.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.707 0.289 . . . . 0.0 111.657 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -86.91 4.39 41.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.93 0.395 . . . . 0.0 110.988 -177.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -128.58 14.11 6.5 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.629 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.38 134.97 38.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.037 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -101.98 -1.65 31.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.692 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -127.08 121.03 22.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -51.92 -44.76 43.03 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.344 2.696 . . . . 0.0 113.068 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 66' ' ' VAL . 22.8 mp0 -62.94 -44.65 95.49 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.397 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -72.54 -32.24 65.94 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.714 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -61.04 -39.69 90.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.189 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -66.21 -37.71 86.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.449 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 62' ' ' GLU . 57.6 t -59.95 -45.96 94.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.408 175.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.402 HG23 ' HD2' ' A' ' 51' ' ' TYR . 72.5 mt -61.59 -43.1 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.425 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.7 -38.27 90.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.403 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -59.91 -45.83 91.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.187 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.71 -39.12 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.034 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.495 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 14.3 mt -57.24 -40.32 77.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 173.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -67.64 -44.77 77.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.883 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 19.5 m-20 -65.02 -44.82 87.93 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.091 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' O ' HG13 ' A' ' 78' ' ' ILE . 57.9 mm-40 -67.86 -42.39 81.41 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.015 -178.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.15 -44.07 87.68 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 33.8 ttmt -58.21 -41.77 84.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.012 176.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 51.1 m170 -59.24 -46.26 88.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.642 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 74' ' ' GLU . 67.6 mt -58.59 -40.12 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.204 177.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.47 -41.81 77.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.501 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -64.37 -46.45 83.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.212 0.53 . . . . 0.0 110.433 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -70.63 -31.82 68.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.354 -175.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 49.4 mtmt -68.74 -38.54 80.23 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.572 177.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.07 -32.28 68.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.01 -30.61 67.95 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 177.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.7 m 72.97 -179.23 0.21 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.195 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -56.99 -64.98 0.7 Allowed 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.165 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -111.0 109.5 19.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.94 0.4 . . . . 0.0 110.402 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -120.06 -165.27 12.85 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 175.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -62.57 121.11 12.5 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.27 88.72 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -174.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.43 -43.91 98.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.918 0.389 . . . . 0.0 111.27 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -67.43 -35.99 80.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.816 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 97' ' ' VAL . 69.6 t80 -66.81 -39.42 87.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.292 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.9 85.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.662 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.2 t -69.92 -36.29 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.059 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.36 -48.09 83.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.549 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 93' ' ' PHE . 59.8 t -63.45 -40.83 90.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.591 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.21 -45.72 87.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.67 -42.52 91.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.462 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.454 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 3.8 t-160 -61.13 -47.34 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.104 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.518 HD11 ' HG2' ' A' ' 19' ' ' LYS . 4.1 tt -57.98 -45.16 87.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.479 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.494 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 10.4 mm-40 -63.49 -36.22 83.05 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.598 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -69.06 -41.73 77.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.211 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.473 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 18.3 mm-40 -65.06 -36.27 83.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.614 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.443 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 60.2 tt0 -64.21 -44.64 91.32 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 175.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -62.53 -33.98 75.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.467 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.413 ' O ' HG13 ' A' ' 111' ' ' ILE . 61.4 m170 -62.91 -45.98 89.98 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 174.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.662 HG13 HD11 ' A' ' 8' ' ' LEU . 92.7 t -60.79 -46.03 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.373 . . . . 0.0 110.036 175.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 72.2 mm-40 -57.41 -38.14 73.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.242 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.81 -40.16 72.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.529 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 107' ' ' HIS . 70.9 mt -72.89 -35.83 50.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.348 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -59.08 -26.63 64.8 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 41.7 mmtm -115.64 179.97 3.82 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.36 0.6 . . . . 0.0 110.311 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -89.74 138.86 31.11 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.903 -175.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.044 171.735 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.831 0.348 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -82.98 9.62 9.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.804 -174.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -63.07 -39.15 93.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.116 0.484 . . . . 0.0 109.908 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.47 -22.1 66.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.04 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -62.05 -41.83 98.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.266 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.4 -37.01 82.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.395 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.3 -50.09 75.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.102 0.477 . . . . 0.0 110.427 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.763 ' HG ' HE21 ' A' ' 12' ' ' GLN . 19.9 tp -70.43 -40.96 73.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.71 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -61.18 -36.95 81.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.4 97.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 110.263 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.09 -47.9 82.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.935 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.763 HE21 ' HG ' ' A' ' 8' ' ' LEU . 78.8 mt-30 -62.49 -38.07 88.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.01 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -61.88 -42.37 98.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.18 0.514 . . . . 0.0 110.089 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -65.2 -38.84 95.65 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.723 176.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.485 HG22 ' HE2' ' A' ' 19' ' ' LYS . 69.4 mt -60.67 -39.16 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.689 0.28 . . . . 0.0 110.728 176.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -59.08 -47.45 85.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.175 0.512 . . . . 0.0 109.746 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 21' ' ' VAL . 78.3 mt -61.61 -44.33 98.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.747 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.505 ' HB3' ' HG ' ' A' ' 101' ' ' LEU . 92.3 mt -58.49 -44.39 89.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 0.0 111.077 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' HE2' HG22 ' A' ' 15' ' ' ILE . 58.8 mtmt -66.7 -34.96 79.01 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.894 0.378 . . . . 0.0 110.802 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.93 -46.34 88.26 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.574 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.544 HG21 HD11 ' A' ' 40' ' ' ILE . 61.2 t -64.67 -40.02 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.564 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.52 -39.44 87.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.459 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 23' ' ' LYS . 14.0 tmtt? -62.38 -50.67 70.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.648 0.737 . . . . 0.0 109.568 174.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.1 -26.57 64.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.27 -1.332 . . . . 0.0 112.111 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.684 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -65.59 -25.98 67.64 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -71.87 -29.73 64.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.187 0.518 . . . . 0.0 110.388 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -92.8 -58.92 2.19 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.928 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.799 ' HA2' HD11 ' A' ' 33' ' ' LEU . . . 56.91 72.86 0.51 Allowed Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.389 -0.823 . . . . 0.0 114.265 173.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -87.33 -83.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.404 -0.519 . . . . 0.0 109.794 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.511 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 9.5 pt-20 -173.04 -58.95 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 175.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.511 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 15.9 mm-40 -60.49 -44.84 95.52 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -168.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.19 -42.77 88.4 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 120.729 0.299 . . . . 0.0 110.461 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.799 HD11 ' HA2' ' A' ' 28' ' ' GLY . 89.0 mt -63.51 -43.5 97.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.811 -179.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.8 81.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 35' ' ' ARG . 31.0 ttt180 -66.24 -46.42 77.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' ILE . 58.2 mt -60.92 -39.1 88.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.291 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 41' ' ' VAL . 40.1 t-20 -58.44 -48.79 79.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.143 0.497 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.952 HE21 ' HA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -67.78 -36.44 80.49 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.203 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.5 -42.46 99.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.462 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.544 HD11 HG21 ' A' ' 21' ' ' VAL . 93.5 mt -57.46 -49.3 80.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 176.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 37' ' ' ASN . 94.4 t -56.64 -48.79 80.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.891 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.5 -46.04 84.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.202 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.07 -48.8 74.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.883 -174.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 48' ' ' VAL . 24.2 tt0 -70.61 -39.49 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.793 -177.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -61.9 -38.06 86.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.915 0.388 . . . . 0.0 110.384 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -65.39 -42.25 92.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.845 175.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.414 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -60.98 -39.31 96.86 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.437 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 44' ' ' GLU . 92.3 t -56.66 -40.55 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.893 0.378 . . . . 0.0 110.605 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.02 -46.06 89.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.654 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.45 -40.17 87.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.763 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 17.8 m-85 -63.12 -43.84 97.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 176.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.55 81.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.385 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.96 -48.74 80.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.71 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . . . -72.81 -33.79 66.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.782 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.63 -38.94 79.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 111.903 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.66 -16.32 57.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.835 0.35 . . . . 0.0 110.669 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 54' ' ' ALA . 52.6 mtmt -86.47 1.76 50.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.803 177.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.31 120.15 13.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -67.67 -41.47 83.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.689 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -93.67 127.18 46.9 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.526 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.15 -30.85 24.41 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.784 2.322 . . . . 0.0 113.632 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.69 -46.44 75.6 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.445 0.64 . . . . 0.0 110.741 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -72.71 -21.92 60.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -65.55 -42.16 92.18 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 174.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -38.48 80.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.367 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 70' ' ' ILE . 51.9 t -60.76 -47.06 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.444 177.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.94 -40.48 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.596 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.536 ' HA ' HD12 ' A' ' 71' ' ' LEU . 12.4 t70 -63.62 -37.61 87.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.323 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 69' ' ' LYS . 44.3 mtpt -65.62 -42.91 91.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.933 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 84.9 mt -58.56 -41.97 83.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 68' ' ' ASP . 52.2 mt -57.07 -43.17 81.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.798 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -65.31 -44.88 86.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.454 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.476 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 19.1 m-20 -61.66 -42.12 98.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.251 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 13.1 mm-40 -65.97 -39.12 90.1 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.465 177.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 28.3 mm-40 -57.45 -43.67 84.14 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.355 0.598 . . . . 0.0 110.111 173.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' NZ ' ' HA ' ' A' ' 73' ' ' ASP . 3.6 ttmp? -60.08 -38.71 83.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.909 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 62.8 m170 -66.4 -48.23 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.246 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.12 -38.01 58.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.385 0.612 . . . . 0.0 110.322 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.77 -40.39 96.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.117 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -61.11 -45.01 96.43 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -67.68 -29.62 68.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.874 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -62.2 -42.5 99.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.35 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 110.456 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.51 -28.0 66.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.411 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.4 m -58.58 -20.81 50.14 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.57 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -91.98 112.3 24.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.793 -0.185 . . . . 0.0 110.852 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 61.92 -162.37 0.28 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.658 0.599 . . . . 0.0 110.945 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.96 155.76 7.92 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.637 175.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -140.54 172.88 12.09 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.16 -51.95 67.6 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -172.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -62.17 -48.6 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -175.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -67.02 -34.33 77.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.646 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.41 ' O ' HG23 ' A' ' 97' ' ' VAL . 7.9 t80 -69.09 -42.63 75.91 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.684 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . . . -60.41 -39.41 87.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.599 176.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 23.8 t -60.89 -45.42 94.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.341 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.59 -47.79 84.66 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.107 0.479 . . . . 0.0 110.678 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 93' ' ' PHE . 95.6 t -61.6 -41.57 90.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.956 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.04 -45.61 92.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.914 0.388 . . . . 0.0 111.103 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 95' ' ' SER . 78.1 mt-30 -66.35 -35.98 81.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.943 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 6.0 t-160 -69.67 -42.77 73.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.583 176.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.505 ' HG ' ' HB3' ' A' ' 18' ' ' LEU . 1.2 mt -57.47 -45.49 84.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.141 -177.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -60.68 -38.05 83.65 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.781 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -69.23 -40.61 77.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 0.0 110.018 -179.087 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.442 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 47.8 mm-40 -67.81 -37.53 82.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.096 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -62.52 -35.63 80.02 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.27 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 103' ' ' ASP . 38.4 ttm180 -64.67 -40.82 96.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.482 174.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.401 ' O ' HG13 ' A' ' 111' ' ' ILE . 57.6 m170 -61.01 -51.24 70.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.169 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.84 -41.92 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.382 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -56.95 -43.28 81.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.391 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.15 -50.08 37.21 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.519 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 107' ' ' HIS . 79.8 mt -62.57 -36.71 76.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 111.972 -175.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.36 -26.83 68.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -134.45 25.68 3.77 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -117.43 106.18 12.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.804 0.335 . . . . 0.0 110.58 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.5 t30 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.121 178.216 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.72 0.295 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -126.15 150.93 47.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.031 0.443 . . . . 0.0 110.094 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.31 -0.76 20.57 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.732 177.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 tt -73.01 -47.04 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.258 -173.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -44.97 95.48 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 117.004 -0.089 . . . . 0.0 111.2 -173.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.1 -43.29 99.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.74 0.305 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.7 tp -66.89 -43.14 84.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.096 0.474 . . . . 0.0 110.059 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 tp -60.27 -45.3 93.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.853 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.23 -41.94 98.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.694 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.08 92.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 110.789 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -67.74 -47.01 70.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.493 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.25 -28.45 69.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.497 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.39 -41.91 97.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.445 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.69 -41.96 98.82 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.198 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.02 -41.17 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.092 0.473 . . . . 0.0 110.365 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -59.41 -48.12 82.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.302 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 21' ' ' VAL . 82.3 mt -61.3 -45.34 98.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.942 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -58.27 -43.84 88.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.327 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 19.9 mmtp -66.22 -39.18 89.42 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.651 0.263 . . . . 0.0 111.079 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -64.38 -41.0 96.92 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.018 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.556 HG21 HD11 ' A' ' 40' ' ' ILE . 93.5 t -70.27 -42.41 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 tp -59.23 -37.2 76.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.541 . . . . 0.0 110.174 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -61.04 -50.2 74.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.031 176.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.751 ' HG2' ' HG2' ' A' ' 32' ' ' GLU . 4.9 mptp? -60.73 -32.8 72.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.809 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.68 75.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.883 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -75.27 -35.74 61.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.015 0.436 . . . . 0.0 110.188 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.54 -35.1 79.39 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.578 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.71 42.53 5.39 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.229 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.566 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.7 t0 -106.32 100.05 9.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.344 0.592 . . . . 0.0 109.653 176.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.79 -38.54 86.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.043 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -65.37 -38.02 88.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.181 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.751 ' HG2' ' HG2' ' A' ' 24' ' ' LYS . 4.7 tp10 -67.17 -42.96 83.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.432 175.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 87.0 mt -59.16 -46.15 89.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.43 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.64 83.26 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.191 0.519 . . . . 0.0 110.653 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.54 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 31.1 ttt180 -67.66 -47.17 70.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.411 176.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.544 ' O ' HG13 ' A' ' 40' ' ' ILE . 92.4 mt -60.04 -44.74 94.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.531 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -58.02 -42.42 85.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 110.565 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -43.15 98.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.683 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -66.6 -38.5 87.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.654 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.556 HD11 HG21 ' A' ' 21' ' ' VAL . 82.4 mt -59.24 -50.27 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.671 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.3 t -59.55 -49.9 81.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 42' ' ' LYS . 53.0 mtpt -59.44 -45.94 90.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 111.242 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.88 -48.61 62.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.081 -175.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 48' ' ' VAL . 24.0 tt0 -70.33 -38.16 74.85 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.762 -177.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -59.39 -37.38 77.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.856 0.36 . . . . 0.0 110.206 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -64.63 -39.62 94.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.822 178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.95 -41.45 87.77 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.728 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 44' ' ' GLU . 62.5 t -62.24 -35.99 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.982 0.42 . . . . 0.0 110.582 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -58.86 -41.72 87.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.043 175.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.96 -37.8 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.456 175.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.439 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . 6.4 m-85 -58.25 -43.54 87.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 176.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.619 ' HA ' HD11 ' A' ' 71' ' ' LEU . 63.1 tttm -65.46 -43.09 91.44 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.14 -46.16 79.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.368 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.12 -36.82 64.21 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.92 87.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 15.8 pt-20 -93.87 5.51 51.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.53 0.681 . . . . 0.0 110.372 -177.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -127.7 15.39 6.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.14 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.88 141.6 38.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.906 -177.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -74.99 -29.07 60.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.615 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.711 ' HB2' ' HD3' ' A' ' 63' ' ' LYS . 14.1 m120 -132.98 144.6 53.51 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.345 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.81 -40.74 34.16 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.767 2.311 . . . . 0.0 112.269 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -60.31 -41.5 93.61 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.237 0.541 . . . . 0.0 110.342 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.711 ' HD3' ' HB2' ' A' ' 60' ' ' ASN . 14.1 mptt -70.34 -32.34 70.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.807 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -62.47 -42.43 99.47 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.029 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -54.36 -43.25 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.322 0.389 . . . . 0.0 110.584 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 70' ' ' ILE . 61.2 t -63.54 -51.11 74.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.802 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.38 -37.2 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.156 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.91 -40.24 94.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.838 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -60.68 -45.41 94.28 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.393 173.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 66' ' ' VAL . 81.1 mt -62.49 -39.27 83.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.402 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.619 HD11 ' HA ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -56.47 -49.45 74.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.962 175.448 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.39 -41.15 93.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.155 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -63.7 -51.05 66.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HB3' HG22 ' A' ' 48' ' ' VAL . 18.5 mm-40 -63.33 -39.94 95.95 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.947 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -58.27 -36.09 72.75 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.471 0.653 . . . . 0.0 110.338 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 29.2 ttmt -70.54 -40.69 73.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.679 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 57.3 m170 -59.83 -50.21 74.7 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.46 -37.24 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.591 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.49 -41.8 98.54 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -62.87 -46.3 88.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 110.423 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -70.42 -32.52 70.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.481 -178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' HD2' ' O ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -69.94 -36.9 75.65 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.634 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.53 84.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.944 0.402 . . . . 0.0 110.664 177.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.71 -29.74 70.92 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.461 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.8 m 72.78 -80.09 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.295 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -149.31 -62.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.002 0.43 . . . . 0.0 111.229 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -88.87 133.38 34.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.781 -172.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -160.25 147.37 14.27 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -58.14 140.29 53.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.376 0.588 . . . . 0.0 110.287 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.25 -41.89 51.02 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.484 0.49 . . . . 0.0 112.232 -174.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.67 -48.82 79.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.099 0.476 . . . . 0.0 111.484 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -70.98 -38.68 72.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.611 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.65 -42.35 82.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.517 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.53 87.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.7 m -64.19 -39.16 93.41 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.416 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.54 -47.64 84.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.314 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.4 t -62.26 -40.93 89.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.09 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -62.84 -44.95 94.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.292 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -69.31 -33.37 73.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.691 0.281 . . . . 0.0 110.828 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.9 t-160 -66.86 -41.46 87.27 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.12 -46.52 88.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.311 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -43.81 81.22 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -45.86 83.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.671 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 55.2 mm-40 -64.27 -38.4 90.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.717 -176.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -65.56 -33.16 75.27 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.146 0.498 . . . . 0.0 110.243 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -69.3 -33.65 73.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.266 177.515 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -63.67 -43.16 97.52 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -60.24 -40.63 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.762 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 106' ' ' ARG . 40.1 mt-10 -57.37 -36.21 70.93 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.119 176.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 106' ' ' ARG . 5.3 mm-40 -71.12 -48.14 53.93 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.227 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 64.2 mt -72.55 -40.44 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -173.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.85 -26.38 68.1 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -174.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -91.47 46.54 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.924 0.393 . . . . 0.0 111.715 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.565 ' HD3' ' C ' ' A' ' 114' ' ' LYS . 11.9 tmtt? -84.26 115.89 22.69 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 175.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.409 HD22 ' C ' ' A' ' 114' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.795 175.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 mtt . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.3 117.09 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.162 0.506 . . . . 0.0 111.567 -168.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.31 10.9 40.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.14 -176.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.2 mt -117.06 -55.83 2.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.86 0.362 . . . . 0.0 111.236 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -68.03 -46.13 72.02 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.747 -176.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -67.18 -32.98 74.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.89 -46.64 77.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.858 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.84 HD11 HG13 ' A' ' 108' ' ' VAL . 26.3 tp -65.61 -40.23 92.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.406 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -57.77 -35.78 71.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.734 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.5 92.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.879 0.371 . . . . 0.0 110.733 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.76 -45.29 83.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.487 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.25 -29.38 70.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.946 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.694 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.39 -44.23 95.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.498 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -68.1 -41.3 87.32 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.897 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.94 -40.69 81.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 110.51 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.694 ' HE3' ' HA ' ' A' ' 13' ' ' GLN . 28.5 mtmt -58.91 -46.91 86.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.578 175.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.558 HD13 ' HG3' ' A' ' 39' ' ' GLU . 86.0 mt -64.13 -44.06 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.595 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -59.23 -47.1 86.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.608 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.681 ' HG2' HD11 ' A' ' 101' ' ' LEU . 90.4 mttt -66.74 -35.05 79.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.652 0.263 . . . . 0.0 110.957 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.54 -47.08 80.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 17' ' ' ILE . 87.2 t -64.4 -39.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 177.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 tp -59.52 -36.0 75.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.23 0.538 . . . . 0.0 110.359 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -66.45 -49.37 66.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.818 175.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -59.27 -23.37 62.34 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.939 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.76 -26.27 68.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.189 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HD2' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -73.48 -35.79 65.71 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.457 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.18 -47.11 59.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.819 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.62 56.9 4.03 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 114.025 171.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 16.5 t70 -101.16 119.14 38.32 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 171.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.87 -44.04 94.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -171.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -71.49 -41.62 69.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.324 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 8.5 tp10 -65.78 -41.43 92.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 64.8 mt -60.18 -43.14 96.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 111.167 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 37' ' ' ASN . . . -67.16 -35.65 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.36 0.6 . . . . 0.0 110.508 178.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.415 HH21 ' CD ' ' A' ' 32' ' ' GLU . 22.4 ttp180 -69.2 -39.42 78.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.57 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 92.2 mt -63.58 -33.44 75.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.761 175.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 34' ' ' ALA . 8.7 t30 -56.33 -43.45 79.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.629 176.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -41.36 83.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.771 176.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.558 ' HG3' HD13 ' A' ' 17' ' ' ILE . 9.4 tp10 -62.34 -41.09 98.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.673 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.7 mt -61.89 -50.32 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.694 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.64 -37.17 78.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.401 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -57.62 -46.9 83.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.644 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.79 -44.76 72.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.5 mm-40 -58.86 -46.51 87.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.47 -38.7 92.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.769 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.36 -40.68 93.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.168 0.508 . . . . 0.0 109.737 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.449 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -60.74 -46.96 93.45 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.21 176.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 44' ' ' GLU . 89.5 t -59.97 -40.3 82.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.982 0.42 . . . . 0.0 110.532 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -54.83 -47.68 73.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.505 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.0 t -72.28 -42.35 65.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.325 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.449 ' HD1' ' O ' ' A' ' 47' ' ' GLY . 12.5 m-85 -61.33 -36.28 79.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.416 0.151 . . . . 0.0 111.219 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -59.87 -45.64 91.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.22 0.533 . . . . 0.0 109.831 174.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -63.27 -43.71 97.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.956 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.15 90.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.6 -37.68 87.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.936 0.398 . . . . 0.0 111.049 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -80.37 -20.12 44.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.601 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 43.5 mttm -78.16 -39.22 41.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.791 173.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.81 108.77 0.34 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.269 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 57' ' ' LYS . 51.0 mtp85 -89.43 12.34 16.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.072 -176.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -139.62 126.32 12.46 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 174.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -60.32 -26.68 83.25 Favored 'Trans proline' 0 N--CA 1.473 0.323 0 C-N-CA 123.484 2.789 . . . . 0.0 114.692 -169.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -60.89 -47.74 85.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 111.5 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' O ' HG13 ' A' ' 67' ' ' ILE . 56.8 mtmt -77.63 -26.7 50.72 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.457 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -66.42 -36.9 83.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.15 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.08 -39.54 94.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.196 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.566 HG21 HD21 ' A' ' 115' ' ' ASN . 53.3 t -64.65 -42.96 96.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.038 176.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 63' ' ' LYS . 87.0 mt -62.32 -45.02 99.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.037 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.09 -41.3 96.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.223 0.535 . . . . 0.0 110.519 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.37 -45.56 88.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.504 176.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.445 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 78.3 mt -68.05 -39.11 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.765 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.69 -45.52 81.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.019 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 27.9 tt0 -63.41 -45.09 92.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.478 177.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -66.11 -38.77 89.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.656 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 35.1 mm-40 -68.1 -43.21 78.96 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.415 177.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 10.6 mm-40 -61.02 -35.08 75.92 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.698 0.761 . . . . 0.0 110.275 173.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 28.0 ttmt -63.68 -43.08 97.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.949 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -60.77 -46.05 91.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.356 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.537 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 68.2 mt -58.59 -41.73 82.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.372 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.44 -41.91 90.71 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.311 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -61.01 -44.97 96.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.311 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -68.05 -34.03 75.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.16 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 78' ' ' ILE . 33.9 mmtp -60.07 -50.85 72.07 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.947 0.403 . . . . 0.0 110.335 176.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.19 80.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.42 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.49 -34.88 72.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.5 m -71.7 -9.56 58.45 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.806 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.676 ' HE2' ' HA ' ' A' ' 86' ' ' LYS . 10.8 mmpt? -79.84 -65.75 0.96 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.756 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -143.5 101.89 3.85 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.331 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -179.58 96.47 0.1 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.152 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -95.44 105.65 17.64 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.811 -0.229 . . . . 0.0 110.957 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 71.89 -57.46 0.61 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.154 0.909 . . . . 0.0 113.22 173.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -60.67 -50.37 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.993 0.425 . . . . 0.0 111.581 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -67.41 -34.11 76.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.687 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -72.29 -44.01 63.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.966 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.69 88.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.026 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 m -70.69 -40.8 72.67 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 32.1 tp -60.63 -47.93 84.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.164 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.46 -41.79 93.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.203 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.77 -45.68 85.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.967 -177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.68 -44.4 86.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -58.86 -38.45 78.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.966 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 19' ' ' LYS . 4.5 tt -59.52 -48.43 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.124 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.723 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -64.56 -40.04 94.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.229 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.88 -49.44 77.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.371 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -63.9 -38.24 90.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.99 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -62.07 -32.81 73.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.348 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.604 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 1.7 tpm_? -67.45 -40.53 85.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.329 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -60.37 -49.01 79.3 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.14 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.84 HG13 HD11 ' A' ' 8' ' ' LEU . 95.3 t -58.45 -43.63 87.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.435 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.19 -42.89 82.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.277 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -60.7 -46.14 91.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.029 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.7 -46.38 94.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.465 -178.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.71 -26.66 67.12 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.678 -177.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.428 ' HB2' ' HZ2' ' A' ' 113' ' ' LYS . 9.6 mtmp? -83.75 34.9 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.649 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 70.99 1.72 3.92 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.433 0.693 . . . . 0.0 111.587 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.566 HD21 HG21 ' A' ' 66' ' ' VAL . 2.6 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.356 -176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtm . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 121.049 0.452 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.566 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 4.6 p-10 -139.5 147.95 41.99 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -69.65 -12.56 61.73 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -169.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.0 tp -89.17 -54.34 4.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.869 0.366 . . . . 0.0 110.573 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.545 ' HB2' ' OD1' ' A' ' 2' ' ' ASP . 0.6 OUTLIER -63.64 -45.75 88.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.735 -176.367 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.629 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 11.5 mm-40 -63.68 -38.48 91.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.992 0.425 . . . . 0.0 110.356 -176.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 51' ' ' TYR . 22.3 tp -69.89 -49.45 52.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.597 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.2 tp -63.3 -45.6 90.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.476 -175.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.629 ' HE3' ' HA ' ' A' ' 6' ' ' GLU . 17.7 ptpt -62.4 -35.26 78.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.704 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.65 81.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.361 . . . . 0.0 110.744 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.95 -46.73 83.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.437 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.89 -30.37 71.37 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.383 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -63.46 -43.87 96.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.088 0.47 . . . . 0.0 110.608 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.525 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -64.35 -40.76 98.11 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.968 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.91 -43.36 88.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.931 0.396 . . . . 0.0 110.544 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -59.91 -45.3 92.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.972 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.5 mt -61.69 -45.08 99.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.966 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.9 mt -60.52 -42.18 95.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.294 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HG2' HD11 ' A' ' 101' ' ' LEU . 60.8 mtpt -62.92 -41.0 99.3 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.564 177.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.559 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -61.85 -49.23 77.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.59 178.051 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 36' ' ' LEU . 73.9 t -66.71 -40.01 85.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.245 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.97 -41.4 91.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.379 0.609 . . . . 0.0 110.203 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 22.6 ttpt -60.93 -50.28 74.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.982 0.896 . . . . 0.0 110.206 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 44.2 mtpt -71.53 -23.74 61.82 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.061 -175.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -70.19 -25.77 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.249 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 47.7 mtmt -64.97 -29.58 70.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.992 0.425 . . . . 0.0 110.671 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -78.39 -46.71 19.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.038 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.65 49.29 3.67 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.88 172.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 10.1 t70 -91.66 120.51 32.49 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 171.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.31 -50.68 69.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.375 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -64.27 -37.98 89.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.8 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 29' ' ' ASP . 9.9 tp10 -61.03 -48.94 79.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.427 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.464 HD21 ' HA ' ' A' ' 25' ' ' ALA . 83.1 mt -62.08 -41.29 98.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.103 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.7 -33.71 76.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.243 0.544 . . . . 0.0 110.577 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -68.93 -47.42 65.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.871 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.471 HD13 HG22 ' A' ' 21' ' ' VAL . 97.0 mt -65.14 -35.14 80.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.302 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -55.32 -43.94 75.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.302 -179.788 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -63.86 -38.74 92.22 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.411 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.99 -39.45 75.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.419 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.407 HD11 HG21 ' A' ' 21' ' ' VAL . 68.8 mt -62.35 -47.64 92.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.623 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 37' ' ' ASN . 95.1 t -59.32 -46.05 92.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.929 -178.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.19 -39.77 93.31 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.957 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.67 -47.42 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.591 0.234 . . . . 0.0 111.087 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 48' ' ' VAL . 10.2 mm-40 -63.37 -44.98 93.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -58.74 -44.61 90.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.962 0.41 . . . . 0.0 110.727 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.482 ' O ' HG23 ' A' ' 50' ' ' VAL . 54.5 tp60 -66.22 -47.0 75.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.321 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.65 -45.95 94.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.499 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 44' ' ' GLU . 69.0 t -60.24 -38.95 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.711 0.291 . . . . 0.0 110.825 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.642 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 62.0 tttm -61.58 -46.47 89.73 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 46' ' ' GLN . 77.0 t -59.87 -41.52 86.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 123.246 0.341 . . . . 0.0 110.989 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.446 ' CD1' HD11 ' A' ' 7' ' ' LEU . 30.5 m-85 -58.4 -46.16 86.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.791 0.329 . . . . 0.0 110.42 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -67.98 -33.95 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.974 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 58.7 mm-40 -58.47 -50.14 74.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.154 0.502 . . . . 0.0 109.933 175.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.24 -33.74 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.568 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.46 78.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.677 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -79.97 -8.13 59.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.2 0.524 . . . . 0.0 111.028 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -113.41 7.46 17.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.124 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.14 137.28 53.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.496 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.453 ' HD3' ' N ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -95.08 -20.65 19.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.146 -178.556 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 4.4 t-20 -115.38 113.47 43.21 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.123 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 11.4 Cg_endo -55.68 -33.76 88.43 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.103 2.535 . . . . 0.0 112.711 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.3 mp0 -62.77 -44.67 95.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 178.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.5 -29.26 61.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.55 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -63.73 -37.77 88.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.907 177.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -66.14 -39.3 89.74 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.606 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 62' ' ' GLU . 64.0 t -59.85 -45.54 94.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.99 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.406 HG23 ' HD1' ' A' ' 51' ' ' TYR . 82.3 mt -60.94 -44.55 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.342 176.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.19 -42.9 96.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.082 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -59.39 -45.92 90.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.435 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.76 -39.25 84.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.181 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.99 -41.35 82.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.803 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.77 -45.87 88.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.587 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -67.84 -39.77 83.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.175 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 78' ' ' ILE . 16.0 mm-40 -65.93 -41.52 91.24 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.25 176.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 75' ' ' GLU . 39.2 mm-40 -57.57 -41.83 81.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.637 0.732 . . . . 0.0 109.958 172.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 28.0 ttmt -60.84 -45.62 93.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.321 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 48.1 m170 -60.84 -42.17 97.26 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.427 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.9 mt -59.4 -45.93 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.551 177.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.8 -41.16 99.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.059 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -59.84 -45.33 92.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.955 0.407 . . . . 0.0 110.195 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -69.48 -30.0 67.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.621 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -59.57 -47.49 85.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.711 0.291 . . . . 0.0 110.894 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.32 -35.61 68.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.934 0.397 . . . . 0.0 111.521 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.6 -30.5 65.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -175.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.2 p -74.32 74.9 1.86 Allowed 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -171.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 18.3 tttp -175.63 97.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.234 173.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 86' ' ' LYS . 2.8 mp0 69.84 120.23 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.785 0.678 . . . . 0.0 110.431 -172.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.43 103.23 2.41 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.733 -0.746 . . . . 0.0 113.264 -170.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -81.4 115.63 20.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.69 -47.32 67.31 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -172.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -61.87 -47.63 84.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.855 0.359 . . . . 0.0 111.068 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -71.49 -39.45 70.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.269 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -64.25 -43.9 93.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.931 0.396 . . . . 0.0 110.183 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.13 87.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.66 177.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.0 m -65.84 -41.05 92.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.706 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.0 -47.92 81.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.458 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.3 t -66.17 -38.42 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.064 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.46 -46.47 89.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.898 0.38 . . . . 0.0 110.832 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -38.35 77.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.453 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.415 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 22.5 t-160 -62.64 -43.59 98.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.322 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 3.3 tt -57.44 -49.23 76.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.423 -178.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -61.46 -36.77 81.33 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.731 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.514 ' HA ' ' HD3' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -67.79 -39.62 84.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.867 0.365 . . . . 0.0 110.769 -179.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.463 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 38.9 mm-40 -66.87 -32.36 73.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.02 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 95.9 mt-30 -60.61 -40.95 93.73 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.087 175.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.514 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 61.7 mtp180 -62.43 -34.46 76.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.93 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' HG13 ' A' ' 111' ' ' ILE . 57.0 m170 -65.52 -46.44 79.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.62 -41.68 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.939 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 44.7 mm-40 -56.56 -44.28 80.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.711 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -67.58 -39.17 84.87 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.814 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 107' ' ' HIS . 80.3 mt -66.0 -47.55 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.651 0.262 . . . . 0.0 111.179 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.72 -32.06 70.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 111.431 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.513 ' HB2' ' HZ2' ' A' ' 113' ' ' LYS . 10.6 mtmp? -94.32 13.55 23.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.711 -176.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.827 ' HE2' ' HA ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -125.16 101.23 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.394 0.616 . . . . 0.0 111.512 -179.097 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.021 -0.99 . . . . 0.0 108.969 171.77 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.034 0.445 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -110.64 165.36 11.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.415 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -58.92 -64.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.469 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.7 tp 68.57 -47.76 0.55 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.643 0.777 . . . . 0.0 112.165 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -60.41 -44.94 95.23 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 122.482 0.313 . . . . 0.0 111.552 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.62 -32.05 73.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.948 0.404 . . . . 0.0 110.784 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.1 tp -67.94 -43.74 78.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.795 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 108' ' ' VAL . 50.5 tp -59.78 -46.92 87.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.269 176.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 47.5 mtpt -57.77 -35.67 71.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.454 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.75 92.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.73 0.3 . . . . 0.0 110.763 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -64.17 -44.82 90.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.557 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 96.4 mt-30 -59.69 -42.11 92.26 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.484 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 17' ' ' ILE . 28.5 tt0 -63.15 -42.41 99.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.496 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.518 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.02 -42.84 99.54 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.971 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.28 -41.58 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 110.297 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -55.37 -47.51 75.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.374 0.607 . . . . 0.0 109.923 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 21' ' ' VAL . 82.9 mt -60.59 -47.23 93.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.959 177.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.588 HD22 HG13 ' A' ' 97' ' ' VAL . 94.8 mt -58.42 -39.58 80.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -62.62 -45.69 91.69 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.231 0.539 . . . . 0.0 110.534 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -43.48 98.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.704 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' ' 36' ' ' LEU . 58.0 t -67.81 -43.53 86.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.173 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.38 -37.09 79.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 110.321 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.19 -51.43 53.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.977 176.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -66.73 -22.4 66.06 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.692 -1.14 . . . . 0.0 112.808 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -26.18 66.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.984 0.421 . . . . 0.0 110.665 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HE3' ' HB3' ' A' ' 26' ' ' LYS . 29.6 mmmt -70.6 -28.56 64.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.087 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.8 -37.28 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.287 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.95 24.43 57.88 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.721 173.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.8 t70 -94.02 123.69 37.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.102 0.451 . . . . 0.0 110.328 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.03 -38.42 79.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.547 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -62.88 -44.55 95.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.569 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.4 tp10 -60.64 -47.58 85.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.407 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 96.8 mt -62.05 -40.28 95.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.31 -34.19 77.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.128 0.49 . . . . 0.0 110.6 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -45.72 71.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.666 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.592 ' HB3' HG22 ' A' ' 21' ' ' VAL . 82.8 mt -62.86 -43.2 99.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.031 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -56.83 -46.34 81.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.509 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -41.37 79.57 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.924 176.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.66 -41.31 83.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.743 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 21' ' ' VAL . 74.3 mt -61.66 -50.23 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.696 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.04 -37.31 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.184 0.516 . . . . 0.0 110.282 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -62.79 -46.85 86.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.188 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.22 73.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.315 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 48' ' ' VAL . 13.8 mm-40 -59.45 -45.67 90.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.55 -39.68 95.03 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.75 0.31 . . . . 0.0 110.657 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -61.73 -45.66 92.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.857 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.481 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -58.93 -39.55 94.21 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.235 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 44' ' ' GLU . 53.2 t -55.92 -41.83 68.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.667 0.27 . . . . 0.0 111.259 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 82.4 tttt -65.68 -39.41 91.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.84 -38.21 82.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.513 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.86 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 45.7 m-85 -66.58 -36.73 83.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 175.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 55.6 tttp -57.47 -47.23 82.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.145 0.498 . . . . 0.0 110.029 173.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.53 -49.58 75.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.256 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.87 -34.37 76.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.758 -177.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.44 -37.81 83.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.817 0.341 . . . . 0.0 111.34 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 70.6 mt-10 -82.96 -32.59 27.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.2 0.524 . . . . 0.0 110.176 -178.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -89.53 12.21 17.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.859 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.56 104.75 4.63 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.565 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -70.17 -42.51 72.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.686 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 18.2 t-20 -91.59 121.81 66.73 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.202 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -64.4 -31.78 61.46 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.141 2.561 . . . . 0.0 113.481 -175.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 11.8 mp0 -63.2 -43.72 97.37 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 120.94 0.4 . . . . 0.0 110.548 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.49 -33.92 77.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.344 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -60.71 -43.58 97.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -66.03 -40.69 91.25 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.733 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 70' ' ' ILE . 62.1 t -59.68 -46.65 93.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.024 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.458 HG23 ' HD1' ' A' ' 51' ' ' TYR . 78.2 mt -63.77 -41.13 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.855 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.85 -43.82 97.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.18 -44.96 95.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.954 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 66' ' ' VAL . 62.1 mt -64.97 -36.15 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.883 0.373 . . . . 0.0 110.26 178.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.86 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -55.31 -40.51 71.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.883 174.331 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.82 -45.12 79.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.834 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.653 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 68.8 m-20 -57.56 -45.95 84.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.713 -178.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -69.29 -41.31 76.98 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.308 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -59.84 -41.47 91.46 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.653 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 14.5 ttmm -57.63 -41.02 80.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.629 177.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -63.47 -35.46 80.54 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.772 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.08 -45.38 94.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.932 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 21.3 mm-40 -59.58 -39.8 85.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.694 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.541 ' HB3' HD11 ' A' ' 96' ' ' LEU . 52.2 m0 -59.98 -44.78 94.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.989 0.423 . . . . 0.0 110.02 175.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 25.2 m80 -69.64 -28.55 66.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.732 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 82' ' ' LYS . 5.2 mmmm -57.69 -46.02 84.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.993 0.425 . . . . 0.0 109.911 174.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.4 -32.44 66.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.251 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 81' ' ' HIS . . . -70.89 -30.65 67.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.898 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.5 t -64.01 115.04 4.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.272 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.2 tttp 73.9 -51.73 0.69 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.681 0.792 . . . . 0.0 112.276 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -82.29 7.26 14.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.589 0.233 . . . . 0.0 111.576 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.64 116.94 4.85 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.427 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -71.88 157.45 37.84 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.28 -34.91 66.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.17 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -61.35 -48.75 79.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.342 0.591 . . . . 0.0 110.58 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -66.93 -42.1 85.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.895 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -63.27 -42.95 99.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.569 -175.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.01 -39.61 95.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.601 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 t -67.9 -36.7 80.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.159 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 80' ' ' TRP . 51.5 tp -66.07 -46.79 76.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.657 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.588 HG13 HD22 ' A' ' 18' ' ' LEU . 71.0 t -61.51 -37.6 78.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.767 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.22 -40.94 98.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.705 176.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -67.06 -45.57 76.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.517 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 17.6 t-160 -60.17 -36.45 77.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.815 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.3 -49.49 76.96 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.297 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.48 -43.53 93.86 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 120.78 0.324 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -51.26 67.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.179 177.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.541 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 10.6 mm-40 -70.59 -36.01 73.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.573 -176.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 18.1 mt-30 -60.45 -42.58 96.44 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.829 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -64.2 -39.57 94.27 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.986 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.42 ' O ' HG13 ' A' ' 111' ' ' ILE . 53.1 m170 -58.97 -44.86 91.61 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.612 HG13 HD11 ' A' ' 8' ' ' LEU . 68.0 t -62.97 -42.33 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.335 175.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 5.2 mm-40 -57.25 -45.08 84.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.198 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -40.57 78.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.2 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 107' ' ' HIS . 81.2 mt -66.06 -41.12 88.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.218 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -68.23 -25.65 65.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.919 0.39 . . . . 0.0 111.397 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.446 ' HB3' ' H ' ' A' ' 114' ' ' LYS . 20.9 mmmt -76.54 -145.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.573 175.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.446 ' H ' ' HB3' ' A' ' 113' ' ' LYS . 8.5 tmtm? -146.71 -50.15 0.2 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 C--O 1.248 0.992 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.665 169.616 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -66.68 113.19 4.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.613 0.721 . . . . 0.0 109.757 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -98.72 102.86 14.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.952 -170.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -128.24 -8.13 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -174.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.452 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 36.7 mmt180 -64.48 -36.65 84.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.05 -39.83 65.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 110.906 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.87 -38.98 83.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.292 0.568 . . . . 0.0 110.179 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.53 HD11 HG13 ' A' ' 108' ' ' VAL . 26.0 tp -60.88 -40.5 93.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.916 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 5' ' ' ARG . 92.4 mttt -58.66 -35.96 73.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.601 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.35 85.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.609 0.242 . . . . 0.0 110.933 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.0 -42.81 99.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.163 0.506 . . . . 0.0 110.085 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.395 175.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -62.28 -40.01 94.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.426 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.417 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -65.58 -41.29 96.18 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.328 175.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.489 HG23 HD11 ' A' ' 101' ' ' LEU . 79.4 mt -59.04 -40.52 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.828 0.347 . . . . 0.0 110.392 175.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -60.17 -42.7 95.54 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 21' ' ' VAL . 76.2 mt -66.33 -46.03 88.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.549 176.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.6 mt -59.74 -38.45 81.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.877 178.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -64.0 -42.88 97.03 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.07 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -45.5 91.56 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.472 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.574 HG22 ' HB3' ' A' ' 36' ' ' LEU . 42.8 t -66.7 -39.45 83.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.896 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.08 -36.12 82.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.993 0.425 . . . . 0.0 110.561 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -64.83 -52.12 58.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.847 0.832 . . . . 0.0 109.875 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' CD ' HD11 ' A' ' 36' ' ' LEU . 49.9 mttp -66.77 -21.7 66.05 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.204 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.04 -33.79 69.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.069 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -68.11 -28.29 67.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.96 0.409 . . . . 0.0 110.819 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.56 -43.49 38.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.8 26.56 71.01 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.46 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.475 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 14.8 t70 -72.81 120.82 18.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.997 0.427 . . . . 0.0 110.494 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -62.37 -41.11 98.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.591 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -68.67 -44.44 74.06 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.384 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -62.31 -49.2 76.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.868 178.36 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.48 HD23 HD12 ' A' ' 36' ' ' LEU . 84.9 mt -60.48 -37.12 80.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.575 -176.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.62 99.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -68.24 -44.11 76.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.49 . . . . 0.0 110.192 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.574 ' HB3' HG22 ' A' ' 21' ' ' VAL . 94.7 mt -58.26 -44.64 88.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.611 -178.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -57.93 -47.72 82.06 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -39.67 92.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.042 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.99 -41.16 95.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 21' ' ' VAL . 80.5 mt -60.01 -50.31 80.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.532 HG13 HG23 ' A' ' 78' ' ' ILE . 76.5 t -58.55 -43.95 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.719 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -62.98 -39.93 96.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.5 -47.81 71.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.8 mm-40 -60.07 -42.39 94.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.342 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -58.84 -44.62 90.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.791 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -66.28 -42.61 88.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.265 0.555 . . . . 0.0 110.158 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -41.64 98.12 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.091 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.498 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 44.7 t -57.1 -44.4 83.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 C-N-CA 122.33 0.252 . . . . 0.0 111.124 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HE3' ' HG2' ' A' ' 53' ' ' GLU . 2.8 tptt -56.17 -47.87 77.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.04 -38.66 81.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.613 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 3.0 m-85 -61.13 -43.3 99.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.664 175.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 73.2 mmtt -56.9 -43.89 81.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 177.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.559 ' HG2' ' HE3' ' A' ' 49' ' ' LYS . 53.8 mm-40 -68.28 -48.55 64.69 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.026 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.58 -33.68 71.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.843 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.49 -38.61 69.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.582 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -88.92 -9.68 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 0.0 110.996 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.802 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 10.2 mmpt? -79.22 -18.9 52.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.253 0.549 . . . . 0.0 109.786 174.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.15 105.71 3.02 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.849 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -69.28 -29.99 67.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.631 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 97.3 m-20 -98.11 130.34 28.79 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.593 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 32.0 Cg_exo -59.34 -34.53 97.71 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.301 2.667 . . . . 0.0 112.797 -177.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.06 -42.57 84.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.213 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.52 -37.82 88.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.123 0.487 . . . . 0.0 110.031 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -64.0 -37.02 85.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.719 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.7 -44.52 96.78 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.443 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 70' ' ' ILE . 57.2 t -61.46 -48.56 88.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.456 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.18 -45.19 99.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.021 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.18 -46.0 89.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.074 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' HB3' ' HE3' ' A' ' 69' ' ' LYS . 21.6 mtpp -59.98 -46.66 88.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.628 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 66' ' ' VAL . 68.7 mt -61.26 -39.93 84.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.189 0.518 . . . . 0.0 110.1 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.63 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 2.1 mt -57.33 -45.45 84.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.984 176.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.58 -43.32 99.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.016 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.16 -43.04 96.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.424 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.25 -37.97 89.39 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.515 0.198 . . . . 0.0 110.544 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 61.3 mm-40 -57.44 -40.98 79.59 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.378 0.609 . . . . 0.0 109.96 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -69.46 -38.17 77.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.451 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -57.07 -50.39 72.92 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.204 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.583 HG22 ' HE3' ' A' ' 82' ' ' LYS . 56.4 mt -60.39 -39.17 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.663 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.58 -40.98 96.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.078 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -59.97 -44.87 94.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.031 0.444 . . . . 0.0 110.742 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -69.38 -30.56 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.65 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.583 ' HE3' HG22 ' A' ' 78' ' ' ILE . 97.3 mttt -59.62 -47.47 85.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.89 0.376 . . . . 0.0 110.23 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.91 95.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.999 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.44 -30.19 69.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.115 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.3 t -74.7 -4.55 38.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.19 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 51.1 mtpt -98.85 -55.64 2.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -147.21 102.43 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.304 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -165.55 144.13 9.0 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.954 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -103.74 -179.02 3.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.757 0.313 . . . . 0.0 110.374 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.58 80.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.804 -173.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.45 -48.47 80.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.795 0.331 . . . . 0.0 111.707 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -70.17 -37.03 75.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.923 0.392 . . . . 0.0 110.663 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 97' ' ' VAL . 58.0 t80 -63.76 -46.57 84.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.129 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.08 -35.67 75.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.993 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.8 t -70.35 -38.35 74.8 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.44 -47.48 83.87 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.475 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 93' ' ' PHE . 89.6 t -57.85 -43.87 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 52.6 tt0 -63.83 -43.25 96.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.974 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.51 -44.18 96.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.967 0.413 . . . . 0.0 110.494 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -60.16 -43.28 95.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.928 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.704 ' HG ' HE21 ' A' ' 105' ' ' GLN . 52.0 tp -57.57 -43.08 84.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.338 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 18.2 mm-40 -57.42 -43.42 83.77 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.553 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -69.09 -47.19 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.511 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -60.58 -33.1 72.22 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.95 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.704 HE21 ' HG ' ' A' ' 101' ' ' LEU . 76.0 mt-30 -60.97 -49.55 77.01 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.105 0.479 . . . . 0.0 110.381 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 106' ' ' ARG . 3.0 mpt_? -67.11 -31.42 71.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.666 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -56.96 -50.8 71.54 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 173.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.607 ' O ' ' HB2' ' A' ' 112' ' ' GLU . 92.5 t -60.23 -46.13 95.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.415 178.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.73 -35.3 74.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.262 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -71.85 -49.35 39.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.496 ' HB ' HD13 ' A' ' 8' ' ' LEU . 64.8 mt -71.18 -35.31 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.715 -175.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 108' ' ' VAL . 1.8 tm-20 -55.18 -27.26 44.51 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 123.411 0.684 . . . . 0.0 112.453 -176.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -87.67 -103.68 0.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.953 0.406 . . . . 0.0 111.697 -174.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -147.93 -55.92 0.22 Allowed 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.043 -176.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.164 -176.486 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.403 ' HB3' ' HG3' ' A' ' 6' ' ' GLU . 11.4 t70 -102.79 90.59 3.85 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 172.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -76.22 49.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.287 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.4 tp -151.82 -63.86 0.18 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.141 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -72.88 -44.0 61.84 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.681 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' HG3' ' HB3' ' A' ' 2' ' ' ASP . 44.0 mt-10 -61.78 -40.13 94.1 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.08 0.467 . . . . 0.0 110.283 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' HG ' ' CZ ' ' A' ' 51' ' ' TYR . 7.7 tp -69.89 -49.65 50.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.719 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.677 HD11 HG13 ' A' ' 108' ' ' VAL . 24.1 tp -64.63 -46.61 81.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.474 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 8.7 mtpm? -59.28 -34.19 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.944 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.49 84.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.992 0.425 . . . . 0.0 110.643 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.0 mm-40 -70.4 -45.33 66.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.66 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -60.08 -34.22 73.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.322 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -61.17 -44.13 97.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.027 0.441 . . . . 0.0 109.941 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.605 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -71.18 -40.18 61.73 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.946 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 11' ' ' GLU . 67.9 mt -58.35 -43.52 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.758 0.314 . . . . 0.0 110.766 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -59.16 -45.77 90.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.648 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 21' ' ' VAL . 87.7 mt -64.5 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.062 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 91.4 mt -63.78 -39.37 94.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.909 0.385 . . . . 0.0 110.569 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -66.58 -37.67 85.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.436 174.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 17' ' ' ILE . 41.7 mm-40 -59.68 -48.0 83.39 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.879 176.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 17' ' ' ILE . 59.8 t -64.52 -42.71 95.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.68 -37.63 87.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.103 0.478 . . . . 0.0 110.735 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -70.17 -51.35 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.906 0.86 . . . . 0.0 109.85 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HD3' ' CG ' ' A' ' 32' ' ' GLU . 67.3 mttm -64.14 -21.68 66.64 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.257 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.51 -25.97 68.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.673 0.273 . . . . 0.0 110.745 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.747 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 11.2 mmpt? -71.72 -29.48 64.59 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.172 0.51 . . . . 0.0 109.831 176.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.9 -46.36 45.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.513 174.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.04 63.71 3.05 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.353 -0.839 . . . . 0.0 113.5 172.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.446 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.8 t70 -123.9 133.79 53.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.604 -0.351 . . . . 0.0 110.558 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.21 -39.25 89.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.629 -176.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -66.61 -45.08 80.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.453 0.644 . . . . 0.0 109.58 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.4 tp10 -60.3 -49.54 77.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.606 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 91.8 mt -63.59 -38.21 90.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.18 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.96 99.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.59 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -65.61 -40.14 92.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.956 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 21' ' ' VAL . 90.5 mt -64.13 -41.39 97.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.777 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -58.11 -45.73 86.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -59.13 -42.07 89.77 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.815 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' HG3' HD13 ' A' ' 17' ' ' ILE . 9.2 tp10 -64.76 -39.89 94.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.702 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 36' ' ' LEU . 82.1 mt -61.26 -50.66 79.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-O 120.96 0.41 . . . . 0.0 110.777 177.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.66 -42.73 95.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.804 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -64.28 -47.91 77.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.511 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.88 -49.85 41.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.584 ' O ' HG23 ' A' ' 48' ' ' VAL . 14.6 tt0 -70.73 -42.92 69.9 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.359 -172.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.483 ' HE3' HD13 ' A' ' 78' ' ' ILE . 22.0 ttmt -60.91 -36.87 80.4 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.714 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -61.3 -46.09 91.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.14 -37.01 94.23 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.572 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 44' ' ' GLU . 88.8 t -56.93 -41.53 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 tmtt? -65.14 -45.59 84.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.24 -43.1 92.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.477 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' CZ ' ' HG ' ' A' ' 7' ' ' LEU . 9.3 m-85 -61.68 -43.18 99.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 176.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -63.41 -40.6 97.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.161 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 19.4 mm-40 -62.1 -45.5 93.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.833 175.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.05 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.487 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.13 -41.43 83.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 0.0 110.82 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.72 -0.13 49.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.736 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -109.4 -16.22 14.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.597 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.4 -20.99 59.85 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.23 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 70.61 -70.53 0.15 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.448 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.474 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 48.5 t30 -66.52 123.26 85.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.768 -175.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' A' ' 60' ' ' ASN . 9.1 Cg_endo -51.27 -25.82 18.82 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 124.026 3.151 . . . . 0.0 113.704 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 66' ' ' VAL . 26.0 tt0 -64.29 -46.0 85.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.269 0.556 . . . . 0.0 110.6 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.85 -31.19 63.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.429 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -62.79 -43.01 99.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.289 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -67.35 -37.12 82.74 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 62' ' ' GLU . 89.2 t -60.25 -47.54 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 110.129 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 51' ' ' TYR . 71.6 mt -68.0 -38.55 80.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.485 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.63 -44.89 85.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.429 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -60.09 -44.81 94.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.073 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.653 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 62.1 mt -63.79 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.074 0.464 . . . . 0.0 109.896 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.97 -50.15 73.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.713 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.634 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 11.9 tt0 -57.31 -44.93 84.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.457 0.473 . . . . 0.0 111.149 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -69.09 -37.02 78.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.695 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 21.9 mm-40 -67.78 -38.39 83.3 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.261 177.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.634 ' OE1' ' HA ' ' A' ' 72' ' ' GLU . 3.0 mt-10 -57.3 -40.81 78.64 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.741 0.781 . . . . 0.0 109.724 171.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.517 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 28.3 ttmt -68.76 -40.05 79.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.217 -177.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -61.73 -39.42 91.5 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.483 HD13 ' HE3' ' A' ' 45' ' ' LYS . 69.4 mt -64.15 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.367 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 46.4 mt-10 -59.69 -41.19 90.16 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.985 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -63.5 -45.29 91.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.997 0.427 . . . . 0.0 111.066 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -67.98 -29.62 68.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.896 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 90.4 mttt -59.41 -42.68 92.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.902 0.382 . . . . 0.0 110.334 175.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.21 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.771 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.09 -31.07 68.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.245 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m -71.7 -27.61 63.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.233 0.539 . . . . 0.0 110.82 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -86.09 75.65 9.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.375 -176.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 54.73 93.67 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.307 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.67 -167.37 10.96 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.557 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -111.29 147.37 35.22 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.43 -39.92 92.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.216 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -40.93 96.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.212 0.53 . . . . 0.0 110.136 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -68.4 -38.7 81.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.627 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -64.83 -45.45 86.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.159 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.27 90.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.704 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 62.5 m -64.13 -37.89 89.09 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.998 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.88 -47.12 72.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.1 0.476 . . . . 0.0 110.451 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.546 HG21 HG11 ' A' ' 21' ' ' VAL . 70.7 t -61.0 -39.42 82.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.186 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.91 -44.41 94.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 0.0 110.561 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -67.33 -40.78 85.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.392 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -60.65 -41.04 94.19 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.845 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.465 ' HA ' HD13 ' A' ' 18' ' ' LEU . 62.2 tp -58.58 -47.42 84.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.149 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -60.85 -38.73 86.54 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.31 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.63 -50.73 68.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.079 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -64.53 -37.47 87.65 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.295 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.42 -44.89 95.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -67.87 -32.85 73.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.34 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -58.01 -51.81 68.1 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.005 0.431 . . . . 0.0 110.377 175.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.677 HG13 HD11 ' A' ' 8' ' ' LEU . 87.3 t -64.57 -38.6 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.957 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.41 -35.82 70.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.444 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -71.12 -40.54 71.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.992 0.425 . . . . 0.0 110.569 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.06 -36.75 77.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.27 0.557 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.02 -24.21 52.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.948 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -76.13 13.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -172.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.516 ' HB3' ' NZ ' ' A' ' 114' ' ' LYS . 9.4 mtpm? -89.92 138.71 31.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.041 0.448 . . . . 0.0 111.104 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.626 -0.702 . . . . 0.0 109.572 174.376 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -122.12 114.8 21.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.958 0.885 . . . . 0.0 112.571 -173.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -117.64 143.04 46.53 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 167.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.9 tp -54.11 -43.21 70.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.166 0.291 . . . . 0.0 111.303 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -67.07 -46.07 75.4 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.765 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 53.2 mm-40 -67.55 -36.88 81.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.665 0.269 . . . . 0.0 111.113 -178.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 tp -69.96 -43.31 71.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.968 0.413 . . . . 0.0 110.531 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.685 HD11 HG13 ' A' ' 108' ' ' VAL . 15.9 tp -63.97 -30.17 71.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.428 -178.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.765 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 50.8 mtpt -55.93 -35.69 66.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.511 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.85 87.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.79 0.328 . . . . 0.0 110.651 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -67.97 -43.72 78.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.251 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 89.1 mt-30 -62.26 -39.24 92.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.076 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 17' ' ' ILE . 55.6 tp60 -61.01 -44.54 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.987 0.422 . . . . 0.0 110.233 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.73 -46.43 75.42 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.975 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.7 mt -58.95 -43.4 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.826 0.346 . . . . 0.0 110.536 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -59.44 -46.48 88.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.909 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.461 HD12 ' HB2' ' A' ' 43' ' ' ALA . 74.6 mt -59.39 -47.84 89.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.611 176.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 96.1 mt -57.97 -43.8 86.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 111.184 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -61.32 -46.12 91.61 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.923 0.392 . . . . 0.0 110.814 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -44.5 90.57 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.645 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.589 HG13 HD13 ' A' ' 36' ' ' LEU . 39.6 t -60.12 -42.73 91.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.461 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.15 -43.42 92.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.011 0.434 . . . . 0.0 110.5 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 10.5 tmtt? -71.47 -46.93 58.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.634 0.73 . . . . 0.0 109.835 176.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.929 ' HG2' HD21 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -58.16 -37.45 74.73 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.924 -174.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.82 -25.66 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.943 0.401 . . . . 0.0 111.59 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mmtt -62.76 -27.77 69.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.365 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.43 -82.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -175.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.22 -31.22 7.72 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.51 -0.852 . . . . 0.0 113.994 -166.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.408 ' OD1' ' HB2' ' A' ' 90' ' ' ALA . 22.8 t70 68.68 149.64 0.07 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.788 0.435 . . . . 0.0 112.113 -177.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 58.0 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.115 0.966 . . . . 0.0 113.086 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -58.17 -39.98 80.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.24 0.543 . . . . 0.0 110.718 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.9 tp10 -66.47 -38.45 87.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.143 177.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.499 HD22 ' CD2' ' A' ' 93' ' ' PHE . 78.5 mt -62.32 -37.02 83.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.262 -177.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.55 -46.7 80.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.357 . . . . 0.0 111.129 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -62.1 -50.82 70.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.565 0.697 . . . . 0.0 110.474 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.929 HD21 ' HG2' ' A' ' 24' ' ' LYS . 80.1 mt -61.05 -42.86 99.27 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.537 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.463 HD22 ' HE1' ' A' ' 93' ' ' PHE . 25.2 t-20 -56.06 -48.27 76.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.673 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -45.82 90.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.279 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -66.11 -34.76 78.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.937 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 36' ' ' LEU . 80.4 mt -64.46 -48.88 83.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.951 0.405 . . . . 0.0 110.23 176.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.6 t -61.64 -37.55 78.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.415 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.446 ' HD3' ' C ' ' A' ' 42' ' ' LYS . 1.3 tmtp? -58.89 -46.4 87.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.436 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.461 ' HB2' HD12 ' A' ' 17' ' ' ILE . . . -61.96 -47.03 86.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.171 -178.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -61.29 -48.52 80.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.698 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -60.01 -39.63 86.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.403 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.81 -46.82 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.449 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.482 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -65.64 -45.66 88.14 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.962 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 44' ' ' GLU . 68.9 t -56.34 -38.57 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 120.674 0.274 . . . . 0.0 111.502 -176.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -64.85 -39.75 94.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.703 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.91 -41.59 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.651 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.482 ' HD2' ' O ' ' A' ' 47' ' ' GLY . 64.6 m-85 -67.53 -34.66 77.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -45.4 88.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -39.38 91.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.876 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.89 75.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.351 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.23 -37.37 87.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.11 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.52 -8.72 58.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -109.35 3.79 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.685 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.02 104.08 1.67 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.25 -176.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -70.1 -51.61 30.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.304 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 19.3 m120 -84.84 129.36 56.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.868 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 31.4 Cg_exo -59.58 -32.97 96.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.75 2.3 . . . . 0.0 111.423 176.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.08 -43.06 93.4 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.669 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.25 -36.33 81.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.296 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -61.57 -37.67 84.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.435 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -46.08 92.19 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.791 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.06 -46.48 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.562 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.4 -46.7 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.744 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.75 -43.29 94.33 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.945 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -58.95 -45.77 89.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.315 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 79.3 mt -67.86 -39.33 81.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.427 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.73 -46.79 81.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -68.44 -45.03 73.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.538 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.594 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 2.0 m-20 -60.23 -40.13 89.12 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.78 -177.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.455 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 25.3 mm-40 -73.11 -34.6 66.25 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.363 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -40.52 82.9 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.758 0.79 . . . . 0.0 109.167 171.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 21.4 ttmt -57.22 -40.47 77.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.274 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -74.7 -39.77 61.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.163 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 74' ' ' GLU . 78.1 mt -57.11 -43.62 81.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.926 0.393 . . . . 0.0 110.052 176.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.3 -50.62 70.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.48 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.461 ' HB3' HD11 ' A' ' 96' ' ' LEU . 51.2 m0 -60.79 -47.36 86.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.135 0.493 . . . . 0.0 111.358 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -71.3 -30.91 66.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.859 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -68.03 -35.71 78.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.023 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.89 -34.6 76.97 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.068 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.43 -30.04 69.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.916 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.6 t -68.93 -16.91 63.87 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.341 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -84.6 -52.63 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.93 107.06 2.28 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -143.17 81.32 0.23 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.88 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -63.29 162.19 12.59 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.666 -0.124 . . . . 0.0 110.666 177.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -49.18 -37.89 24.05 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.581 0.551 . . . . 0.0 112.486 -175.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -60.65 -50.13 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.643 0.735 . . . . 0.0 110.199 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -72.44 -43.31 63.97 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.073 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.499 ' CD2' HD22 ' A' ' 33' ' ' LEU . 38.0 t80 -67.07 -46.31 74.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.434 -172.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.59 83.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 110.715 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 19.3 m -69.21 -39.12 78.78 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.14 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 80' ' ' TRP . 48.7 tp -61.01 -46.19 91.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.856 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 93' ' ' PHE . 95.5 t -57.42 -41.65 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.01 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -64.91 -45.63 85.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 95' ' ' SER . 85.8 mm-40 -67.04 -36.63 82.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -65.87 -46.08 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.936 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -38.03 74.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.509 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 0.4 OUTLIER -62.06 -44.6 96.34 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 178.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.664 ' HA ' ' HD2' ' A' ' 106' ' ' ARG . 0.5 OUTLIER -67.64 -39.3 84.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.803 -177.304 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -65.77 -37.16 85.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.968 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -64.05 -33.69 76.33 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.805 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.664 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 95.6 mtt180 -65.5 -41.36 93.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.849 176.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.488 ' O ' HG13 ' A' ' 111' ' ' ILE . 61.4 m170 -58.87 -50.82 72.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.106 177.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.685 HG13 HD11 ' A' ' 8' ' ' LEU . 61.1 t -58.92 -46.01 91.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.105 0.479 . . . . 0.0 110.386 177.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.417 ' O ' ' HE2' ' A' ' 113' ' ' LYS . 17.2 mm-40 -58.24 -40.56 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.607 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -71.59 -37.46 70.98 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 107' ' ' HIS . 78.8 mt -72.36 -49.49 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -176.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -56.16 -39.18 71.94 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -170.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.417 ' HE2' ' O ' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -97.84 10.52 39.98 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.198 -173.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.825 ' HE2' ' HA ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -103.02 98.6 8.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.167 0.508 . . . . 0.0 110.762 -178.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.433 -0.794 . . . . 0.0 110.031 175.019 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.4 tpp . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -103.05 152.52 21.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.193 0.52 . . . . 0.0 111.713 -171.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.3 mp0 -65.21 -52.28 55.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.794 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.1 tp -58.66 -33.33 69.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.91 -174.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -60.62 -43.59 97.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.975 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -72.35 -37.06 68.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.309 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.8 -41.53 95.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.999 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.4 tp -69.62 -45.59 68.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.291 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -57.95 -36.06 72.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.217 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.48 91.1 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.679 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.18 -43.86 97.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.012 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.34 -32.69 70.33 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.072 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -66.31 -43.82 85.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.437 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.51 -38.93 93.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.912 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.3 mt -60.14 -41.05 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.677 0.275 . . . . 0.0 110.699 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -58.92 -47.61 84.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.418 0.628 . . . . 0.0 110.086 176.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 21' ' ' VAL . 72.3 mt -60.35 -46.46 95.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.883 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.5 -39.39 79.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.107 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -63.68 -45.23 91.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.367 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -47.64 84.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.019 0.438 . . . . 0.0 110.329 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.564 HG21 HD11 ' A' ' 40' ' ' ILE . 61.8 t -68.45 -39.87 81.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.462 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.89 -41.56 96.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.963 0.411 . . . . 0.0 110.362 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -67.29 -49.61 63.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.69 0.757 . . . . 0.0 109.997 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.95 -23.24 63.4 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.449 -1.25 . . . . 0.0 111.643 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.25 -25.84 68.24 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.867 0.365 . . . . 0.0 111.05 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -69.35 -28.77 66.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.64 -45.87 60.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.71 22.42 72.3 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.021 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.67 119.26 21.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.066 0.46 . . . . 0.0 110.443 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.71 -36.84 85.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.114 -174.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -71.65 -44.13 64.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.975 0.417 . . . . 0.0 110.678 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.1 tp10 -64.09 -49.5 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.985 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.98 -36.51 81.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.331 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.29 -48.01 81.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.819 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 29.0 ttt180 -66.04 -47.46 74.3 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.006 0.432 . . . . 0.0 110.446 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.555 ' HB3' HG22 ' A' ' 21' ' ' VAL . 60.3 mt -58.17 -34.61 70.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.75 -176.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.514 ' O ' HG23 ' A' ' 41' ' ' VAL . 65.0 t30 -60.44 -48.01 83.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -60.12 -40.05 88.4 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.878 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 5.3 mm-40 -60.35 -39.63 87.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.598 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.564 HD11 HG21 ' A' ' 21' ' ' VAL . 74.7 mt -66.18 -48.7 80.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.338 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 37' ' ' ASN . 60.9 t -56.63 -43.86 79.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.393 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -61.86 -45.92 91.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.1 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.07 75.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.247 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 48' ' ' VAL . 12.0 mm-40 -61.65 -48.11 82.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -59.07 -42.79 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.808 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -68.85 -44.61 73.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.24 -46.45 94.44 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.102 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 44' ' ' GLU . 25.2 t -61.93 -35.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.117 0.484 . . . . 0.0 110.602 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -60.22 -38.23 82.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.052 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.0 t -71.08 -41.6 76.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.75 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -63.04 -39.35 94.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.824 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -61.43 -35.71 78.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.387 . . . . 0.0 110.888 176.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.19 -46.18 81.8 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.381 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.05 -31.83 72.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.773 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.75 68.84 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -76.09 -21.28 56.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 0.0 110.651 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -92.84 9.43 35.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.742 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.95 102.96 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.472 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -80.99 -15.65 55.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.05 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' HB2' ' HG3' ' A' ' 63' ' ' LYS . 12.2 m120 -117.3 124.03 29.42 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.079 -178.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.14 -27.83 85.7 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.975 2.45 . . . . 0.0 111.788 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -64.37 -46.45 83.32 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.824 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.495 ' HG3' ' HB2' ' A' ' 60' ' ' ASN . 46.0 mttm -73.29 -32.29 64.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.207 -178.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -39.75 91.31 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.024 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.403 ' OE1' ' HG2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -60.53 -47.01 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 70' ' ' ILE . 47.4 t -60.19 -51.11 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.469 178.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.71 -44.19 96.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 71' ' ' LEU . 22.2 t70 -60.52 -43.94 96.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.984 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HG2' ' OE1' ' A' ' 65' ' ' GLN . 31.7 mmtp -58.48 -46.52 86.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.395 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 66' ' ' VAL . 78.6 mt -59.99 -42.27 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.242 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 68' ' ' ASP . 26.5 mt -57.0 -50.09 73.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.705 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.19 -41.25 77.4 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.419 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.515 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 13.4 m-20 -68.98 -37.67 78.9 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.431 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 78' ' ' ILE . 26.2 mm-40 -69.28 -38.65 78.44 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.034 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.457 ' OE2' HG11 ' A' ' 48' ' ' VAL . 25.7 mm-40 -58.4 -40.46 82.44 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.524 0.678 . . . . 0.0 110.075 173.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 86.3 tttt -59.83 -41.32 91.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.954 176.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 43.9 m170 -65.76 -45.59 81.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.007 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 74' ' ' GLU . 71.0 mt -56.32 -38.82 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.922 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.08 -41.58 92.78 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.421 -177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.456 ' CZ2' ' HE2' ' A' ' 76' ' ' LYS . 29.0 m0 -67.09 -46.97 72.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.07 0.462 . . . . 0.0 111.072 -177.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -70.48 -30.65 67.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.799 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -59.56 -46.78 87.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.739 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.79 -34.31 76.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.714 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.83 -30.42 70.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.643 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -74.61 5.54 4.72 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 111.712 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -133.32 -44.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.816 0.341 . . . . 0.0 110.346 177.081 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -141.26 104.47 4.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.228 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -164.72 164.43 36.91 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.182 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.484 ' O ' ' HB2' ' A' ' 93' ' ' PHE . 8.9 p30 -128.14 179.97 5.32 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 178.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.93 -38.48 17.96 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -174.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.75 -49.37 76.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.027 0.441 . . . . 0.0 111.215 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.919 HE21 ' HA ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -69.48 -28.83 66.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.85 177.721 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 89' ' ' ASN . 38.8 t80 -66.13 -38.91 89.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.202 -178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.56 97.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.8 t -69.23 -34.81 75.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.728 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.626 ' HA ' HE21 ' A' ' 99' ' ' GLN . 48.2 tp -60.0 -47.4 86.01 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.656 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.33 -41.03 88.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.699 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.567 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 6.6 tt0 -65.91 -46.77 77.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.578 -177.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.626 HE21 ' HA ' ' A' ' 96' ' ' LEU . 29.1 pt20 -69.59 -34.87 74.73 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.214 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.458 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 6.2 t-160 -62.16 -43.9 97.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.04 -42.87 91.28 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.524 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 28.9 mm-40 -63.2 -43.85 97.03 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.03 0.443 . . . . 0.0 110.693 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.09 -44.27 97.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.267 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 49.8 mm-40 -63.79 -33.12 74.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.302 -178.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.78 -36.67 79.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.787 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.79 -42.36 99.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.723 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -59.34 -46.43 88.62 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.0 0.429 . . . . 0.0 109.862 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.54 -46.51 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.006 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -57.81 -46.13 85.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.609 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -68.73 -41.9 78.38 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.019 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.8 mt -74.18 -51.88 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.812 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -68.79 -35.18 76.71 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -171.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 98.1 mttt -84.61 -14.39 48.84 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.53 -0.468 . . . . 0.0 112.141 -173.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.558 ' HD3' ' C ' ' A' ' 114' ' ' LYS . 5.5 tmtt? 170.84 110.81 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 124.021 0.826 . . . . 0.0 110.091 173.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.405 ' N ' ' HD3' ' A' ' 114' ' ' LYS . 50.5 t30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.906 174.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -119.8 118.42 30.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 171.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -117.72 18.41 14.14 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.981 -174.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -130.01 -36.52 1.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -174.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -62.74 -44.72 95.48 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -172.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -63.64 -35.73 81.48 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.023 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.46 -49.4 66.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.249 178.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 36.7 tp -63.76 -44.9 92.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.762 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.477 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -57.63 -35.78 70.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.866 -179.819 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.09 84.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 110.435 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.11 -43.82 98.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.705 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 96.1 mt-30 -59.08 -40.98 86.92 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.425 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.49 -44.08 92.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.303 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.571 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -64.95 -47.03 87.26 Favored Glycine 0 C--O 1.226 -0.355 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.278 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.408 HG23 HD21 ' A' ' 101' ' ' LEU . 78.0 mt -58.68 -42.49 85.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.381 . . . . 0.0 110.733 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -61.93 -46.6 88.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.221 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 21' ' ' VAL . 70.0 mt -59.33 -42.59 87.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.824 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.5 mt -60.48 -43.01 97.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.315 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -62.68 -40.15 96.21 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.686 0.279 . . . . 0.0 110.777 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.06 -47.39 84.9 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.119 0.485 . . . . 0.0 110.608 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.517 HG21 HD11 ' A' ' 40' ' ' ILE . 96.2 t -64.29 -40.15 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.01 178.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.7 tp -59.55 -39.99 85.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.182 0.515 . . . . 0.0 110.423 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -64.57 -50.16 68.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.604 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -64.94 -25.54 67.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.003 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.18 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 110.519 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -74.43 -29.78 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.338 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -71.0 -41.53 70.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.764 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.33 14.42 64.02 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 114.322 169.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.54 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.9 t70 -76.03 118.17 18.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.464 0.632 . . . . 0.0 109.917 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -76.14 -31.95 58.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.646 -172.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.9 -44.69 95.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.107 0.48 . . . . 0.0 109.793 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -66.65 -42.16 87.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.731 176.754 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 83.7 mt -59.67 -37.31 78.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.902 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.45 92.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.744 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -67.38 -50.5 59.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.059 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 87.1 mt -58.84 -48.62 80.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.715 -176.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.453 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -55.95 -49.49 73.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.824 -176.272 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.466 ' OE1' ' HA ' ' A' ' 38' ' ' GLN . 11.6 mm-40 -69.17 -36.38 77.3 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.094 0.473 . . . . 0.0 111.241 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.85 -34.89 76.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.423 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.517 HD11 HG21 ' A' ' 21' ' ' VAL . 80.2 mt -63.13 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 173.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 78' ' ' ILE . 93.5 t -58.37 -46.6 89.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.499 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.94 -44.95 87.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.41 92.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.216 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 48' ' ' VAL . 6.1 tp10 -62.65 -46.81 86.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.996 178.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -59.04 -40.19 84.32 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.612 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -58.72 -43.32 90.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.834 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.22 -40.46 81.71 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.101 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 44' ' ' GLU . 77.2 t -56.61 -41.37 73.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.577 0.227 . . . . 0.0 110.886 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -59.63 -41.66 90.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.26 -41.35 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.701 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.622 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 27.5 m-85 -65.61 -37.4 86.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.748 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.528 ' HA ' HD11 ' A' ' 71' ' ' LEU . 61.9 mmtt -58.84 -45.33 90.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.152 0.501 . . . . 0.0 110.334 174.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.7 -48.2 82.61 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.929 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.95 -36.3 69.83 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -174.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -43.04 80.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 111.858 -175.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -96.8 4.44 51.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.221 0.534 . . . . 0.0 110.892 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -107.48 -4.64 18.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.367 172.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.75 136.11 28.14 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.147 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -83.59 -4.36 58.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.06 -173.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.54 ' OD1' ' HB3' ' A' ' 62' ' ' GLU . 13.4 t-20 -146.43 134.98 10.93 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.151 -177.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 11.8 Cg_endo -55.51 -41.8 74.27 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.482 2.788 . . . . 0.0 113.375 -177.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.54 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 38.5 tt0 -57.91 -44.65 86.94 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.526 0.679 . . . . 0.0 110.071 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.502 ' HG2' ' HB3' ' A' ' 60' ' ' ASN . 61.9 mmtt -65.41 -37.08 85.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.568 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 64' ' ' ARG . 13.5 ttm180 -57.04 -47.37 81.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.255 175.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 62' ' ' GLU . 46.1 mt-30 -58.57 -44.35 89.73 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.062 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 62' ' ' GLU . 59.1 t -61.55 -53.78 43.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.3 mt -63.38 -38.98 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.89 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.16 -48.34 78.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.363 -179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -71.14 -32.29 68.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.184 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.78 -38.52 82.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.344 0.592 . . . . 0.0 109.553 171.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.622 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 3.3 mt -56.33 -39.19 72.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.92 176.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.55 -46.44 83.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.783 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -67.61 -37.85 83.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.549 -177.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 7.5 mm-40 -69.0 -43.89 73.93 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.531 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -37.49 73.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.637 0.732 . . . . 0.0 110.293 172.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 31.1 ttmt -68.91 -37.84 79.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.173 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -64.43 -34.75 78.9 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.85 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.629 HG23 HG13 ' A' ' 41' ' ' VAL . 75.8 mt -61.25 -43.6 96.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.87 175.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -58.97 -41.93 88.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.225 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.498 ' HB3' HD11 ' A' ' 96' ' ' LEU . 51.9 m0 -63.63 -46.35 86.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -69.94 -30.59 68.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.666 -177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.34 -46.5 89.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.264 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.68 71.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.524 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.64 65.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.024 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.9 t -63.48 97.26 0.13 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.305 -172.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 86' ' ' LYS . 36.4 mtpt -152.45 -177.87 6.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.326 173.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -81.55 87.89 6.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.32 -139.7 11.17 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.0 t30 62.34 23.06 13.63 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 121.022 0.439 . . . . 0.0 109.953 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.55 89.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.723 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.89 -48.77 78.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.244 0.545 . . . . 0.0 110.78 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -72.08 -32.13 66.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.965 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.401 ' O ' HG23 ' A' ' 97' ' ' VAL . 62.3 t80 -66.31 -42.92 87.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.725 0.298 . . . . 0.0 110.219 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.81 79.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.681 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.499 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 13.0 t -69.74 -41.69 74.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.868 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 80' ' ' TRP . 61.1 tp -60.23 -46.2 90.6 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.546 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.444 HG13 HD22 ' A' ' 18' ' ' LEU . 77.2 t -57.82 -41.91 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.782 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.17 -41.44 94.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.796 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 95' ' ' SER . 79.9 mm-40 -65.03 -41.8 94.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 110.463 178.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -63.61 -45.24 91.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.163 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.408 HD21 HG23 ' A' ' 15' ' ' ILE . 2.4 tt -58.69 -40.25 83.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.009 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 29.1 mm-40 -64.27 -40.86 96.85 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.805 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.89 -45.54 81.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.429 . . . . 0.0 109.918 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -63.14 -33.31 75.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.615 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -60.8 -36.15 78.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.134 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 102' ' ' GLN . 8.4 mmt180 -71.3 -34.83 70.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.03 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -64.11 -45.1 90.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.572 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.74 -39.59 85.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.181 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 29.7 mm-40 -56.6 -46.68 80.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.442 176.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.74 -44.17 97.43 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.657 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 70.5 mt -72.31 -36.8 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -68.22 -49.34 61.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.543 ' HG3' ' HD2' ' A' ' 114' ' ' LYS . 36.1 pttt -90.0 -8.38 51.74 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -170.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.543 ' HD2' ' HG3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER 179.52 -160.04 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.765 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 114' ' ' LYS . 1.8 p30 . . . . . 0 C--N 1.318 -0.785 0 CA-C-O 118.898 -0.573 . . . . 0.0 109.853 173.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.1 mtm . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.733 0.301 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -83.42 98.45 9.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 172.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.47 122.59 16.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.402 -0.817 . . . . 0.0 113.203 -168.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.6 mt -132.7 -20.61 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.504 170.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.78 -44.07 78.29 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -175.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -64.79 -35.91 82.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.714 0.293 . . . . 0.0 110.941 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 51' ' ' TYR . 46.4 tp -66.59 -49.12 67.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.084 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.9 tp -62.54 -39.66 94.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.476 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -56.85 -38.57 72.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.052 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB1' ' HA2' ' A' ' 47' ' ' GLY . . . -63.23 -42.78 99.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.903 0.382 . . . . 0.0 110.617 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.36 -45.55 65.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.406 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.64 -35.56 74.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.222 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -61.03 -44.17 97.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.711 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.511 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -67.11 -43.3 90.51 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.92 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.81 -43.97 89.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.085 0.469 . . . . 0.0 110.243 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -58.28 -46.91 85.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.435 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 21' ' ' VAL . 75.1 mt -62.66 -46.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.295 176.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.2 mt -58.43 -46.33 86.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.47 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -64.53 -34.57 78.54 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.054 0.454 . . . . 0.0 110.738 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -39.6 90.07 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.804 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 17' ' ' ILE . 45.4 t -67.03 -40.99 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.948 0.404 . . . . 0.0 110.423 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.56 -36.14 77.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.507 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -67.42 -49.15 64.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.234 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -22.86 60.57 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.934 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.36 -25.85 66.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.447 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -68.74 -29.68 68.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.016 0.436 . . . . 0.0 110.773 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -76.91 -52.67 9.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.997 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.31 49.6 6.18 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.974 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -106.1 129.9 54.1 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -73.13 -30.6 63.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.064 -172.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -71.42 -42.13 68.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.156 0.503 . . . . 0.0 109.898 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 19.6 tp10 -59.63 -49.64 76.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.268 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.2 -37.0 84.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.257 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.21 82.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.891 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -60.8 -49.77 76.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.54 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.54 ' O ' HG13 ' A' ' 40' ' ' ILE . 96.2 mt -58.48 -40.73 83.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.766 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.563 ' O ' HG23 ' A' ' 41' ' ' VAL . 49.0 t30 -58.38 -49.37 77.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 0.0 110.142 178.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -42.07 93.77 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.994 178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -63.83 -34.76 78.64 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.163 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.547 HD11 HG21 ' A' ' 21' ' ' VAL . 93.9 mt -65.99 -46.77 87.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.928 0.394 . . . . 0.0 110.345 175.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 37' ' ' ASN . 29.9 t -61.5 -37.51 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.59 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -66.18 -46.34 77.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.009 173.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.64 94.47 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.454 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.2 mm-40 -59.31 -40.38 86.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.487 ' NZ ' HG12 ' A' ' 41' ' ' VAL . 50.5 mttp -62.11 -37.53 85.49 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.008 0.432 . . . . 0.0 110.476 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -63.07 -46.57 86.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.017 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.477 ' HA2' ' HB1' ' A' ' 10' ' ' ALA . . . -67.76 -45.68 73.5 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.577 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 44' ' ' GLU . 54.1 t -57.14 -40.26 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 122.241 0.216 . . . . 0.0 111.149 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -61.24 -47.98 83.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.618 0.247 . . . . 0.0 110.718 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.7 t -68.14 -42.71 85.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.655 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.489 ' CD1' HD11 ' A' ' 7' ' ' LEU . 21.7 m-85 -58.05 -48.33 80.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.849 0.357 . . . . 0.0 110.451 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.2 tptp -60.72 -45.78 92.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.675 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.16 -50.33 74.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.55 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.64 -34.42 64.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.43 -43.69 88.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 8.3 pt-20 -91.03 12.71 18.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.287 0.565 . . . . 0.0 110.637 -176.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -130.72 12.63 5.33 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.356 175.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.87 143.94 28.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.436 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -82.66 -36.55 25.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.98 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -87.05 116.66 66.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.899 -174.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.95 -27.6 20.57 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.756 2.304 . . . . 0.0 113.025 -177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.94 -45.45 64.16 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.261 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 59.4 mttm -74.66 -23.81 58.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.729 175.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -43.32 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -66.39 -39.62 89.15 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.814 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 70' ' ' ILE . 61.6 t -61.19 -48.67 87.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.281 177.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.412 HG23 ' HD1' ' A' ' 51' ' ' TYR . 81.2 mt -63.34 -40.63 89.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -61.92 -45.79 92.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 110.303 177.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -59.71 -44.97 93.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.106 176.483 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.458 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 76.8 mt -62.15 -39.86 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.625 177.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.571 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 6.7 mt -57.68 -49.47 76.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.77 -42.18 88.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.441 ' HA ' ' HZ2' ' A' ' 76' ' ' LYS . 95.0 m-20 -58.84 -46.85 86.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.232 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 30.8 mm-40 -66.18 -37.28 85.24 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.371 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 59.0 mm-40 -57.58 -37.7 73.62 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 109.894 173.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HZ2' ' HA ' ' A' ' 73' ' ' ASP . 3.9 ttmp? -68.88 -39.97 79.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.435 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -63.22 -42.72 99.31 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.85 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 74' ' ' GLU . 73.9 mt -57.83 -37.51 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.713 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 82' ' ' LYS . 40.7 tt0 -64.93 -42.37 94.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.261 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.455 ' HB3' HD11 ' A' ' 96' ' ' LEU . 51.4 m0 -62.34 -47.24 85.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.166 0.508 . . . . 0.0 110.643 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -70.58 -28.79 65.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 80.0 tttt -57.81 -48.47 79.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.059 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 -35.05 75.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.78 67.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.889 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.5 m -63.16 -27.33 69.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -110.53 90.62 3.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 72.4 101.95 0.07 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 124.013 0.82 . . . . 0.0 111.95 177.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -136.26 179.05 18.28 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.721 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -126.74 159.58 33.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.06 0.43 . . . . 0.0 109.977 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.92 -63.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.656 0.614 . . . . 0.0 112.656 -171.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.96 -39.68 95.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.903 0.383 . . . . 0.0 111.465 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 12.5 mm-40 -61.97 -35.98 80.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.481 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 97' ' ' VAL . 72.3 t80 -68.66 -42.03 78.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.98 0.419 . . . . 0.0 110.029 176.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.09 -38.73 87.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.899 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 t -72.25 -33.55 67.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.198 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 80' ' ' TRP . 41.7 tp -59.49 -46.89 87.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.163 0.506 . . . . 0.0 109.652 175.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 93' ' ' PHE . 89.6 t -60.3 -37.8 75.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.47 175.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 55.7 tt0 -65.37 -47.84 75.0 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.494 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -42.97 98.45 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 110.328 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.506 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 4.4 t-160 -60.88 -46.69 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.118 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 45.3 tp -58.45 -48.83 79.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.53 -177.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 98' ' ' GLN . 28.7 mm-40 -58.61 -37.29 75.55 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.692 -177.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -69.32 -43.69 73.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.113 0.482 . . . . 0.0 110.289 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 15.2 mm-40 -65.26 -38.29 89.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.314 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 26.1 mt-30 -61.43 -36.69 81.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.317 0.579 . . . . 0.0 109.966 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 73.2 ttt180 -69.7 -37.93 76.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.934 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -58.52 -44.95 89.72 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.22 -42.89 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.996 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.13 -37.32 71.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.178 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 106' ' ' ARG . 45.9 mt-10 -71.53 -48.77 46.56 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.498 178.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.7 -38.21 81.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -62.45 -26.44 68.51 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.436 ' HB3' ' H ' ' A' ' 114' ' ' LYS . 44.3 mmtm -92.31 -163.23 1.01 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.068 0.461 . . . . 0.0 111.466 -175.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.436 ' H ' ' HB3' ' A' ' 113' ' ' LYS . 52.1 mtpt -74.26 -50.78 17.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.253 -171.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.408 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 3.1 m-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.489 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 mtt . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.647 0.26 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.446 ' HB3' HD13 ' A' ' 4' ' ' LEU . 3.2 t70 -87.27 176.71 7.42 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -88.54 30.51 0.89 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -170.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.446 HD13 ' HB3' ' A' ' 2' ' ' ASP . 11.0 mp -60.07 -37.35 79.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.323 . . . . 0.0 111.251 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -65.28 -40.6 94.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.946 0.403 . . . . 0.0 110.305 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.39 -41.29 63.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.179 0.514 . . . . 0.0 110.417 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.493 HD21 ' CE1' ' A' ' 51' ' ' TYR . 30.9 tp -62.91 -37.85 88.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.605 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 111' ' ' ILE . 32.8 tp -56.52 -41.8 77.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.551 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -57.15 -44.8 83.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.462 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.05 98.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.038 0.446 . . . . 0.0 110.757 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -67.71 -44.12 78.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.105 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 99.0 mt-30 -62.79 -39.07 93.09 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.142 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -61.94 -43.72 98.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.977 0.418 . . . . 0.0 110.565 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.88 -44.12 97.9 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.019 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.05 -40.72 86.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.819 0.343 . . . . 0.0 110.681 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -58.24 -46.68 85.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.217 0.532 . . . . 0.0 109.644 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 21' ' ' VAL . 78.7 mt -62.21 -42.59 95.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.058 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 94.4 mt -59.94 -41.59 92.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.606 0.241 . . . . 0.0 110.773 178.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.66 -40.96 96.33 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 121.189 0.519 . . . . 0.0 110.736 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.91 -45.99 92.45 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.137 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.572 HG22 ' HB3' ' A' ' 36' ' ' LEU . 96.7 t -67.48 -44.35 86.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.77 -36.52 79.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.105 0.479 . . . . 0.0 110.288 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.19 -51.07 67.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.809 0.814 . . . . 0.0 110.206 175.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.11 -23.55 65.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.084 -1.416 . . . . 0.0 112.215 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.551 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -61.94 -31.6 71.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.995 0.426 . . . . 0.0 111.019 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -70.21 -28.94 65.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.266 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.17 -32.86 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.826 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.38 51.76 9.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.12 -0.562 . . . . 0.0 113.636 173.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.519 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 34.5 t70 -118.7 118.31 31.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -68.25 -31.64 71.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.059 -172.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -70.81 -38.67 73.31 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.118 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 3.2 tp10 -60.06 -49.83 76.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.655 175.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.551 HD21 ' HA ' ' A' ' 25' ' ' ALA . 85.1 mt -59.96 -43.84 94.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.049 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.97 95.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.753 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -64.36 -42.01 96.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.29 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HB3' HG22 ' A' ' 21' ' ' VAL . 97.7 mt -62.94 -44.31 96.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.651 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.29 -39.12 85.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 110.43 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.08 -40.83 97.11 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.743 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.11 -40.65 98.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.081 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.519 HD11 HG21 ' A' ' 21' ' ' VAL . 78.9 mt -60.52 -50.49 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.624 177.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.56 HG13 HG23 ' A' ' 78' ' ' ILE . 85.4 t -61.08 -43.95 97.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.909 0.385 . . . . 0.0 110.699 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.99 -46.03 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.87 71.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.575 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' OE2' ' HB2' ' A' ' 77' ' ' HIS . 1.9 tp10 -62.82 -47.51 83.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.704 -178.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -63.48 -37.33 86.87 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.162 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 49' ' ' LYS . 28.5 tt0 -60.02 -42.15 93.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.94 175.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.55 -46.07 95.05 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.598 175.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 44' ' ' GLU . 83.1 t -58.91 -36.94 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.001 0.429 . . . . 0.0 110.838 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 46' ' ' GLN . 64.8 tttp -56.19 -47.77 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.458 176.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.2 t -71.49 -41.16 72.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.085 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.518 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 12.1 m-85 -58.33 -40.72 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.353 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.11 -40.77 98.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.093 0.473 . . . . 0.0 110.047 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -66.18 -41.09 90.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.945 176.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.63 78.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.177 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.7 90.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.219 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.68 -31.08 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.891 ' HZ2' ' HB3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -79.66 -22.2 43.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.652 -176.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.95 131.35 50.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.331 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -86.0 -44.71 12.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.795 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -87.39 123.69 69.29 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.997 -174.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.91 -37.01 88.48 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.07 2.513 . . . . 0.0 112.67 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.89 -43.63 92.28 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.898 0.38 . . . . 0.0 110.885 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.96 -38.47 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.416 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.54 -36.14 79.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.68 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 28.4 tt0 -64.16 -40.18 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.464 178.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 70' ' ' ILE . 58.1 t -60.09 -43.58 93.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.127 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.73 -44.76 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.861 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -58.19 -42.52 86.31 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.063 0.459 . . . . 0.0 110.725 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 65' ' ' GLN . 42.4 mtpt -59.12 -45.57 90.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.315 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 66' ' ' VAL . 61.6 mt -67.56 -38.79 81.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.906 0.384 . . . . 0.0 110.447 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.518 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 5.9 mt -56.23 -43.57 78.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.41 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 6.7 tm-20 -63.83 -40.21 96.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.031 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.456 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 31.1 m-20 -69.47 -45.95 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.307 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.512 ' O ' HG13 ' A' ' 78' ' ' ILE . 14.2 mm-40 -68.69 -42.71 77.39 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.786 -177.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.61 -34.9 69.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.369 0.604 . . . . 0.0 109.995 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.646 ' HD2' ' CZ2' ' A' ' 80' ' ' TRP . 1.8 ttmm -66.53 -45.93 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.872 177.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.467 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 39.1 m170 -62.48 -41.3 98.69 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.559 -177.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.56 HG23 HG13 ' A' ' 41' ' ' VAL . 62.1 mt -56.31 -45.35 81.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.881 177.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -57.11 -40.02 76.22 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.731 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.646 ' CZ2' ' HD2' ' A' ' 76' ' ' LYS . 53.2 m0 -65.84 -47.25 75.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.036 0.446 . . . . 0.0 110.997 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -69.99 -31.18 68.75 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.117 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -62.24 -36.13 81.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.888 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.78 -31.76 66.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.289 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.46 -34.34 78.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.791 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.9 m -81.82 21.5 0.84 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -69.92 -43.57 71.39 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 171.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -139.98 -47.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.601 172.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.99 91.6 2.07 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.737 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.594 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . 40.6 t30 -103.44 127.06 50.9 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.43 73.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.905 -174.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.07 -51.02 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.778 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.594 ' HG2' ' HB3' ' A' ' 89' ' ' ASN . 8.1 pt20 -73.35 -33.23 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.969 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -63.83 -48.21 77.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.606 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.9 -37.16 85.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.612 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.7 m -68.67 -41.74 78.86 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.551 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.23 -47.94 82.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.899 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.33 -39.05 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.639 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -62.45 -45.87 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.986 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -72.96 -40.47 65.31 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.649 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 12.0 t-160 -58.47 -42.38 87.33 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.37 -47.91 80.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.42 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.503 ' O ' ' HD3' ' A' ' 106' ' ' ARG . 15.0 mm-40 -60.2 -44.18 95.35 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.226 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.599 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 3.1 m-20 -63.26 -41.73 99.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.217 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.465 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 35.3 mm-40 -67.2 -37.13 83.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.698 0.285 . . . . 0.0 110.996 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -63.66 -35.34 80.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.785 0.326 . . . . 0.0 110.442 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.599 ' HE ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -66.39 -33.41 75.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.95 174.171 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' HG13 ' A' ' 111' ' ' ILE . 64.3 m170 -64.72 -45.66 85.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.173 175.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' A' ' 112' ' ' GLU . 92.1 t -62.84 -40.46 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.084 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.99 -36.92 70.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.076 175.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.38 -46.67 75.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.942 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.462 HG21 HD13 ' A' ' 8' ' ' LEU . 71.7 mt -67.02 -43.41 89.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.85 -176.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 45.3 mm-40 -58.48 -38.3 77.33 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.152 0.501 . . . . 0.0 111.014 179.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.613 ' HZ2' ' HB3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -76.51 -22.04 54.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.9 -179.269 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? 61.37 -106.24 0.23 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.963 -172.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.453 ' C ' HD22 ' A' ' 115' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.841 178.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -131.02 106.78 8.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.325 0.583 . . . . 0.0 111.604 -164.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -110.05 -58.92 2.0 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 173.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -173.66 -30.73 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.417 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -60.73 -46.12 91.65 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.714 0.292 . . . . 0.0 111.411 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -66.2 -35.78 81.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.778 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.89 -49.71 49.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.799 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.787 HD11 HG13 ' A' ' 108' ' ' VAL . 20.5 tp -67.77 -45.31 75.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.112 -175.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -58.67 -35.61 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.404 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.07 -45.47 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.976 0.417 . . . . 0.0 110.59 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.21 -44.22 95.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.488 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.03 -36.25 82.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.662 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 17' ' ' ILE . 50.4 tt0 -63.34 -43.99 96.12 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.86 178.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.575 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.61 -43.99 98.19 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.724 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 HD21 ' A' ' 101' ' ' LEU . 82.2 mt -58.51 -45.79 90.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.903 0.382 . . . . 0.0 110.618 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -59.18 -46.44 88.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.915 178.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . 75.2 mt -59.42 -47.08 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.683 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 95.9 mt -58.88 -39.61 81.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.347 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 61.0 mtpt -64.69 -39.48 93.74 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.807 0.337 . . . . 0.0 110.864 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -47.5 77.31 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.044 176.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' ILE . 57.4 t -61.3 -39.94 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.034 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.4 -46.56 88.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.988 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -66.33 -42.97 87.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.481 0.658 . . . . 0.0 109.802 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.75 ' HD2' HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -70.45 -23.13 62.66 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.515 -178.434 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' O ' ' HB1' ' A' ' 90' ' ' ALA . . . -70.82 -33.1 70.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.257 0.551 . . . . 0.0 109.741 172.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -36.63 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.187 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 46.1 mt-10 -57.02 -52.76 64.0 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 171.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.1 57.76 1.87 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.52 -0.764 . . . . 0.0 114.117 168.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -113.93 120.53 40.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 117.245 0.522 . . . . 0.0 109.929 172.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -56.2 -46.96 79.24 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.49 0.494 . . . . 0.0 111.798 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -67.69 -45.88 73.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.065 -172.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.621 ' CG ' ' HD3' ' A' ' 24' ' ' LYS . 9.4 tp10 -67.45 -38.07 83.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.274 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 25' ' ' ALA . 67.2 mt -65.54 -38.35 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.688 0.28 . . . . 0.0 110.921 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.26 -36.21 81.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.365 0.602 . . . . 0.0 110.068 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -67.58 -41.83 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.046 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.75 HD11 ' HD2' ' A' ' 24' ' ' LYS . 94.9 mt -63.9 -39.47 94.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.49 175.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -55.53 -46.29 77.07 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -59.46 -46.78 87.78 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.027 176.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -64.55 -36.7 85.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.629 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 36' ' ' LEU . 80.6 mt -63.39 -50.76 77.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.472 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.41 HG13 HG23 ' A' ' 78' ' ' ILE . 83.8 t -60.61 -40.19 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.249 0.547 . . . . 0.0 110.01 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -59.18 -46.91 87.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.963 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -47.98 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.185 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.1 mm-40 -59.78 -48.75 80.44 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.965 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -61.76 -36.14 80.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.829 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -61.9 -47.85 83.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.489 . . . . 0.0 110.109 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.92 99.63 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.015 176.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 44' ' ' GLU . 70.6 t -56.66 -45.93 82.72 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 122.241 0.216 . . . . 0.0 110.524 178.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 49' ' ' LYS . 37.3 ttpt -56.36 -43.75 79.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.903 0.382 . . . . 0.0 110.797 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.01 -43.81 92.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.774 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.598 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 29.9 m-85 -66.62 -35.05 79.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.001 177.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.1 mtpp -62.23 -43.81 97.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -57.18 -49.76 74.95 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.492 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.38 77.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.594 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.3 85.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.646 0.26 . . . . 0.0 111.319 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 59.0 mm-40 -76.75 -34.98 58.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.292 0.568 . . . . 0.0 109.751 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -91.47 23.56 3.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.542 176.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.01 117.3 2.66 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.08 0.466 . . . . 0.0 110.989 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -91.3 -21.29 21.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.338 -175.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 18.7 m120 -135.52 138.79 29.38 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 43.4 Cg_exo -58.03 -43.08 51.4 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.962 2.441 . . . . 0.0 112.491 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 3.8 mp0 -62.85 -45.94 90.24 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 121.652 0.739 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -71.39 -25.02 62.18 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.711 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.473 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -60.95 -40.43 93.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.145 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 78.2 mt-30 -66.73 -42.16 86.71 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.8 -50.54 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.038 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 67.1 mt -63.57 -38.32 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.644 178.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.428 ' HB2' HH11 ' A' ' 64' ' ' ARG . 14.9 t70 -58.49 -49.33 77.76 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.101 0.476 . . . . 0.0 111.291 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 65' ' ' GLN . 48.6 mmtt -67.35 -38.38 84.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.428 -177.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 70.5 mt -67.11 -42.85 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.287 176.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.598 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -60.13 -40.61 90.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.18 -179.719 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -61.7 -44.37 97.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 17.3 m-20 -60.61 -44.46 96.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.448 178.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 38.6 mm-40 -66.02 -44.07 85.76 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.051 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.3 -38.7 77.56 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 121.708 0.766 . . . . 0.0 109.682 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.7 ttmt -66.08 -41.59 90.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.945 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -60.6 -43.39 97.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.607 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.41 HG23 HG13 ' A' ' 41' ' ' VAL . 73.8 mt -57.65 -41.14 78.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.137 176.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.21 -41.91 96.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.655 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.496 ' HB3' HD11 ' A' ' 96' ' ' LEU . 43.2 m0 -61.9 -47.34 85.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 111.33 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -70.47 -31.09 68.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.071 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.57 -45.89 81.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.945 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.23 69.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.049 0.452 . . . . 0.0 111.1 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.09 -29.94 64.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 p -75.58 77.44 2.59 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.555 0.693 . . . . 0.0 112.835 -171.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -137.89 -54.49 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.168 170.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -128.03 110.1 12.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.441 171.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.0 81.57 1.74 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.661 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.466 ' HB3' ' CG ' ' A' ' 92' ' ' GLN . 43.6 t30 -82.92 122.98 28.97 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 176.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 25' ' ' ALA . . . -47.09 -56.82 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -167.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.56 -49.34 77.04 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -174.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.466 ' CG ' ' HB3' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -69.84 -30.42 67.91 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.793 -179.05 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -68.23 -43.9 76.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.47 77.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.804 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.5 m -60.96 -43.03 99.33 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.743 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 80' ' ' TRP . 55.8 tp -62.47 -47.39 84.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.509 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.414 HG13 HD22 ' A' ' 18' ' ' LEU . 89.6 t -61.62 -40.19 85.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.991 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -60.07 -46.02 90.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.031 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -72.84 -35.17 67.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.503 HD21 HG23 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -57.77 -43.96 85.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.51 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 14.8 mm-40 -62.6 -37.42 86.15 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.472 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.33 -49.45 71.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.158 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -62.84 -36.04 81.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 47.6 mt-30 -63.65 -38.92 92.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.589 0.233 . . . . 0.0 110.762 177.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.6 ttp85 -67.23 -33.45 75.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.789 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -63.83 -45.53 89.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.787 HG13 HD11 ' A' ' 8' ' ' LEU . 99.4 t -59.25 -41.11 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.26 174.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 58.0 mm-40 -57.44 -37.88 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.699 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.65 -46.99 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.038 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.6 mt -62.4 -42.12 94.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.078 0.466 . . . . 0.0 110.812 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -62.82 -36.56 83.58 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.001 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.581 ' HE2' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -89.51 11.52 19.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.137 0.494 . . . . 0.0 111.21 179.146 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.472 ' HA ' ' HE3' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -99.09 6.04 46.72 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.679 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.928 178.787 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.573 ' HB2' HD11 ' A' ' 67' ' ' ILE . 24.9 ttt . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.14 -53.1 54.8 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.603 -178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.4 ' OE1' ' HE3' ' A' ' 57' ' ' LYS . 2.8 mp0 -82.4 113.64 20.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 169.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.549 ' HA ' HD13 ' A' ' 7' ' ' LEU . 2.7 pt? -136.5 -14.06 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -69.91 -31.56 69.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.988 0.423 . . . . 0.0 110.463 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HA ' ' HG2' ' A' ' 9' ' ' LYS . 1.7 mp0 -71.83 -32.86 67.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.289 0.566 . . . . 0.0 110.079 175.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 4' ' ' LEU . 8.4 mp -69.92 -42.24 73.58 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.932 176.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.46 HD11 HG13 ' A' ' 108' ' ' VAL . 46.8 tp -60.35 -51.19 70.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.209 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 6' ' ' GLU . 5.9 ptpp? -61.82 -35.69 78.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.51 89.0 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.935 0.397 . . . . 0.0 110.714 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.64 -45.6 93.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.739 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -67.25 -30.46 70.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.86 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 17' ' ' ILE . 26.3 tp60 -65.48 -42.43 92.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.951 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.79 -43.16 98.11 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.851 176.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.11 -40.84 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.453 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.26 -47.18 86.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.533 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 21' ' ' VAL . 85.2 mt -61.87 -44.26 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.811 177.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 14' ' ' GLY . 97.0 mt -58.43 -44.16 89.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.706 0.288 . . . . 0.0 111.059 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -63.82 -38.92 92.89 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.092 0.472 . . . . 0.0 110.703 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -62.68 -46.4 88.32 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.086 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 17' ' ' ILE . 46.9 t -65.59 -39.79 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.02 -38.22 85.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.034 0.445 . . . . 0.0 110.383 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 9.0 tmtm? -67.75 -50.59 56.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.469 0.652 . . . . 0.0 109.716 176.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.754 ' HA ' ' HG3' ' A' ' 27' ' ' GLU . 42.9 mttm -65.39 -22.8 66.83 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.896 -1.047 . . . . 0.0 112.765 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -62.19 -30.18 70.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.188 0.518 . . . . 0.0 109.86 172.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 64.4 mmtt -75.88 -28.07 57.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.457 177.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.754 ' HG3' ' HA ' ' A' ' 24' ' ' LYS . 46.2 mt-10 -62.29 -39.63 93.62 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.5 23.25 12.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 114.567 169.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -102.15 121.1 41.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.653 0.726 . . . . 0.0 110.373 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -70.47 -36.9 74.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.495 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.69 -33.63 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.0 0.428 . . . . 0.0 110.232 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.484 ' CD ' HH21 ' A' ' 35' ' ' ARG . 7.3 tp10 -59.41 -44.77 92.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.828 174.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 25' ' ' ALA . 93.2 mt -59.31 -44.01 92.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.98 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.75 95.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.974 0.416 . . . . 0.0 111.065 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.484 HH21 ' CD ' ' A' ' 32' ' ' GLU . 39.0 ttp180 -66.12 -42.62 88.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.57 ' HB3' HG22 ' A' ' 21' ' ' VAL . 82.9 mt -66.36 -38.75 88.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.149 178.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.3 t30 -60.38 -41.92 94.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.9 0.381 . . . . 0.0 109.981 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -63.54 -36.82 85.05 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.794 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.563 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 6.2 tp10 -61.38 -41.47 97.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.225 0.536 . . . . 0.0 109.759 178.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.39 -46.96 93.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.516 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 37' ' ' ASN . 98.5 t -57.48 -42.22 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.965 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.563 ' HD3' ' HA ' ' A' ' 39' ' ' GLU . 50.4 mtpt -57.58 -46.38 84.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.167 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.86 -47.33 69.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 -177.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . 10.9 mm-40 -62.19 -45.22 94.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -60.59 -46.06 91.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.072 0.463 . . . . 0.0 109.809 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.485 ' O ' HG23 ' A' ' 50' ' ' VAL . 23.0 tp60 -61.38 -43.19 99.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.218 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.69 -45.93 94.07 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.436 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 44' ' ' GLU . 99.6 t -57.49 -43.1 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.85 -43.82 97.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.677 178.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 46' ' ' GLN . 47.5 t -70.43 -39.85 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.87 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.01 -33.81 76.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.627 0.251 . . . . 0.0 110.803 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -58.84 -45.52 89.86 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.47 -37.7 86.95 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.147 176.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.11 -33.97 72.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.351 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.86 81.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.079 178.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.46 -6.01 56.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.238 0.542 . . . . 0.0 110.275 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HE3' ' OE1' ' A' ' 3' ' ' GLU . 47.3 mttm -109.19 26.3 10.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.015 172.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.57 91.4 1.83 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.863 0.363 . . . . 0.0 111.242 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -74.5 -12.03 60.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.287 0.565 . . . . 0.0 110.397 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.965 ' HB3' ' HD3' ' A' ' 63' ' ' LYS . 32.3 m-80 -129.87 124.93 21.9 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.982 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.49 -42.49 5.15 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.823 2.349 . . . . 0.0 113.977 -176.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -45.77 66.46 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.853 0.835 . . . . 0.0 110.181 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.965 ' HD3' ' HB3' ' A' ' 60' ' ' ASN . 9.4 mptt -63.47 -21.43 66.31 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.3 -1.318 . . . . 0.0 111.077 178.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -65.68 -37.78 87.44 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -36.78 69.38 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.671 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 70' ' ' ILE . 58.3 t -61.77 -45.81 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.029 175.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.573 HD11 ' HB2' ' A' ' 1' ' ' MET . 60.8 mt -63.49 -46.09 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.297 178.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.17 -40.23 80.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.062 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.426 ' HG2' ' OD2' ' A' ' 73' ' ' ASP . 53.3 tttm -63.29 -47.11 83.7 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.406 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 66' ' ' VAL . 77.4 mt -62.53 -39.86 86.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.173 0.511 . . . . 0.0 109.885 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.71 -42.72 84.36 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.268 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -69.16 -45.04 71.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.438 177.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD2' ' HG2' ' A' ' 69' ' ' LYS . 33.8 m-20 -58.48 -51.5 69.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.435 -178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 78' ' ' ILE . 16.9 mm-40 -63.92 -38.1 89.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.82 -177.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -60.45 -42.56 96.41 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 121.729 0.776 . . . . 0.0 109.89 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 33.2 ttmt -67.59 -37.49 82.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.203 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 60.1 m170 -58.85 -49.81 76.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.329 176.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.661 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 56.1 mt -57.15 -42.92 80.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.198 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -56.6 -41.92 77.83 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.454 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -64.64 -45.31 87.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.123 0.487 . . . . 0.0 110.891 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.43 ' HD2' ' O ' ' A' ' 77' ' ' HIS . 82.9 m-70 -68.47 -28.07 66.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.309 -175.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 94.1 mttt -56.92 -50.59 72.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 110.507 178.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.35 -35.07 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.43 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.26 -29.04 68.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.59 -176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.2 m -54.23 -24.1 17.25 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -174.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -99.51 -2.0 36.97 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.284 -175.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -137.47 96.89 3.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.98 0.419 . . . . 0.0 110.695 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.93 81.01 0.28 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.31 -174.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -114.92 139.69 49.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 171.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.14 94.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -172.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.46 -50.14 74.0 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -173.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -73.64 -30.69 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.06 0.457 . . . . 0.0 111.348 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -72.5 -37.53 68.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.44 -37.18 74.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.061 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.1 m -68.0 -41.54 82.11 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.59 -47.8 82.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.574 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 88.5 t -61.39 -44.97 99.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.962 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -65.18 -43.28 92.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.308 . . . . 0.0 111.065 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.54 -43.9 97.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.133 0.492 . . . . 0.0 110.53 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 5.4 t-160 -66.27 -46.2 77.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.154 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 97' ' ' VAL . 2.2 tt -57.32 -46.2 83.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.027 -175.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -62.61 -34.09 76.32 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.6 -42.14 74.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.124 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -65.23 -33.88 77.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.498 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -60.16 -43.02 96.13 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.037 176.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.2 ttt-85 -67.31 -35.56 79.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.456 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -60.46 -51.71 68.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.008 0.432 . . . . 0.0 110.023 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.46 HG13 HD11 ' A' ' 8' ' ' LEU . 97.0 t -60.63 -43.97 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.527 177.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 113' ' ' LYS . 11.6 mm-40 -57.49 -38.75 75.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.495 177.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 114' ' ' LYS . 22.7 mm-40 -70.09 -39.86 75.33 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.49 HG23 HD12 ' A' ' 4' ' ' LEU . 69.4 mt -72.58 -50.12 36.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.434 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.9 -48.9 64.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -175.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 0.4 OUTLIER -74.58 -38.31 62.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.288 0.566 . . . . 0.0 112.13 -172.531 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.472 ' HB3' ' HZ3' ' A' ' 114' ' ' LYS . 7.8 ttpm? -90.55 79.0 6.22 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.003 -174.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 . . . . . 0 C--O 1.248 0.993 0 CA-C-N 115.102 -0.954 . . . . 0.0 108.573 176.416 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -60.07 -84.37 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.275 -168.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -121.3 50.39 1.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.048 0.452 . . . . 0.0 110.169 178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.7 mp 65.76 9.12 5.74 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.194 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -60.02 -46.35 89.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.894 -176.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -66.93 -39.54 87.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.634 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.0 tp -69.7 -42.53 73.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.455 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.584 HD11 HG13 ' A' ' 108' ' ' VAL . 32.9 tp -65.52 -49.5 68.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.62 -177.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -62.75 -35.02 78.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.322 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.77 94.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.94 0.4 . . . . 0.0 111.111 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.39 -41.73 80.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.344 0.592 . . . . 0.0 110.315 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.33 -26.52 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.108 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.43 -43.71 96.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.286 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.28 -39.86 98.27 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.759 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.602 HG23 HD11 ' A' ' 101' ' ' LEU . 76.9 mt -60.72 -42.1 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 110.756 176.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.1 -42.67 99.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.445 0.64 . . . . 0.0 110.028 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 21' ' ' VAL . 77.6 mt -61.65 -42.46 94.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.762 175.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.507 HD22 HG13 ' A' ' 97' ' ' VAL . 93.2 mt -61.2 -38.67 87.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.762 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -60.23 -42.05 94.4 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.556 0.693 . . . . 0.0 110.644 174.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.96 -43.38 79.16 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.116 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 17' ' ' ILE . 90.7 t -61.49 -40.55 86.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.783 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.64 -38.26 87.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.062 0.458 . . . . 0.0 110.602 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -66.58 -49.81 65.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 109.647 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.612 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 60.7 mttm -65.25 -22.17 66.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.053 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -65.34 -33.62 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.03 0.443 . . . . 0.0 110.341 174.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -74.86 -28.41 60.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.464 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.612 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 30.1 mm-40 -55.84 -47.47 77.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 175.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.85 64.21 1.9 Allowed Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.7 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.534 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.1 t70 -135.74 130.33 33.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.621 0.211 . . . . 0.0 110.652 175.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.15 -50.54 73.27 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.434 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -62.16 -43.23 99.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.864 -174.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.56 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 41.2 mm-40 -60.81 -49.63 76.72 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.951 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 86.4 mt -61.79 -42.81 99.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.123 -178.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.2 98.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.073 0.463 . . . . 0.0 110.618 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -65.59 -44.02 87.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.244 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 95.9 mt -63.0 -43.99 97.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.255 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -56.35 -48.18 77.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -36.58 79.29 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 177.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.89 -39.49 89.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.175 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 36' ' ' LEU . 88.8 mt -60.05 -49.26 84.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.139 175.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.654 HG13 HG23 ' A' ' 78' ' ' ILE . 57.8 t -58.08 -42.05 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.414 177.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -62.0 -44.68 96.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.424 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.82 -44.95 94.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.664 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.8 mm-40 -59.2 -49.51 77.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.457 177.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -61.92 -38.88 90.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.148 -175.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.33 -48.45 80.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.281 0.562 . . . . 0.0 110.185 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.43 -37.57 90.3 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.587 HG11 ' OE2' ' A' ' 75' ' ' GLU . 48.3 t -56.47 -47.56 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -65.18 -36.48 84.33 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.299 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.27 -41.83 93.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.263 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -62.68 -39.43 93.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.645 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.49 -44.08 97.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.719 0.295 . . . . 0.0 110.659 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -66.31 -37.97 86.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.24 77.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.63 -33.79 76.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.121 0.486 . . . . 0.0 110.656 176.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -74.07 -31.52 62.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.14 176.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -82.07 -2.25 51.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.336 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.59 110.5 4.85 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.164 0.507 . . . . 0.0 110.468 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -83.3 20.23 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.626 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' OD1' ' HB2' ' A' ' 62' ' ' GLU . 14.7 t-20 -164.78 126.35 1.46 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.633 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.09 -37.62 82.94 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.206 2.604 . . . . 0.0 113.196 -175.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.478 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 30.3 mt-10 -62.04 -43.99 97.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.491 0.662 . . . . 0.0 110.328 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -61.76 -39.08 90.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.986 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -66.31 -36.74 83.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.945 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.44 -41.77 81.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.801 0.334 . . . . 0.0 110.36 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.8 t -60.08 -51.18 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.389 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.35 -42.2 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.523 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.4 -43.78 96.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.836 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.799 ' HE2' ' HA ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -60.74 -44.53 96.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.299 177.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.479 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 77.6 mt -61.35 -42.98 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.07 176.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.42 -48.06 77.76 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.226 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.98 -44.27 97.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.504 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 19.8 m-20 -65.58 -42.05 92.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.555 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 12.2 mm-40 -66.13 -43.21 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.219 -0.301 . . . . 0.0 110.379 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.587 ' OE2' HG11 ' A' ' 48' ' ' VAL . 18.2 mm-40 -58.54 -34.94 71.57 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.462 0.648 . . . . 0.0 110.205 174.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 33.0 ttmt -67.94 -44.34 77.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.379 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 65.4 m170 -58.5 -43.14 88.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.767 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.654 HG23 HG13 ' A' ' 41' ' ' VAL . 76.8 mt -56.25 -41.42 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.956 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.505 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 39.9 tt0 -64.4 -40.1 95.15 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.935 -178.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -60.34 -45.63 92.77 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.226 0.536 . . . . 0.0 110.312 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -69.46 -30.19 68.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.647 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 78' ' ' ILE . 45.8 mtmt -62.91 -41.19 99.36 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.457 175.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.23 86.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.245 0.545 . . . . 0.0 110.396 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.78 -29.15 68.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.964 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.4 m -60.68 -29.24 69.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.904 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -70.2 -53.38 17.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.325 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -157.99 101.29 1.76 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.031 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.95 104.71 1.49 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.982 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -70.17 151.24 45.63 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.93 -39.38 74.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.661 -174.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mp0 -63.27 -49.98 71.95 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.052 0.453 . . . . 0.0 110.58 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -68.25 -32.66 73.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.074 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -68.14 -43.69 77.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.061 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.98 99.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.544 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.5 m -65.96 -40.04 90.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.816 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.68 -47.41 86.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.882 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.507 HG13 HD22 ' A' ' 18' ' ' LEU . 85.9 t -62.51 -46.76 95.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.676 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.17 -45.6 92.54 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.203 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.91 -37.88 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.419 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -63.45 -43.51 97.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.109 0.48 . . . . 0.0 109.749 177.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 15' ' ' ILE . 39.3 tp -57.4 -39.1 75.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.258 -178.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -57.06 -44.61 83.18 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.783 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.32 -41.72 72.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.996 0.427 . . . . 0.0 110.641 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.428 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 51.3 mm-40 -63.28 -40.85 98.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.501 -177.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 101' ' ' LEU . 92.1 mt-30 -63.31 -32.76 74.26 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.906 0.384 . . . . 0.0 110.512 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 106' ' ' ARG . 0.4 OUTLIER -72.98 -35.72 66.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.74 178.182 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.405 ' O ' HG13 ' A' ' 111' ' ' ILE . 56.1 m170 -57.55 -52.31 65.93 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.584 HG13 HD11 ' A' ' 8' ' ' LEU . 97.1 t -58.56 -43.87 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.033 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.87 -43.31 77.01 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.388 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.579 ' HG3' ' HB2' ' A' ' 115' ' ' ASN . 5.1 tp10 -71.57 -48.14 50.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.79 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 107' ' ' HIS . 83.3 mt -60.08 -40.9 84.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.175 -175.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 108' ' ' VAL . 47.3 mt-10 -58.37 -26.77 63.54 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 111.424 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -101.17 25.08 8.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.476 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt 77.95 -1.46 2.58 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.957 170.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.579 ' HB2' ' HG3' ' A' ' 110' ' ' GLU . 91.9 m-20 . . . . . 0 C--N 1.32 -0.712 0 CA-C-O 118.681 -0.676 . . . . 0.0 110.843 -177.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 ttp . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.754 0.311 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -123.64 -24.14 4.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.495 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.493 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 9.6 tp10 64.07 83.78 0.16 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.838 0.828 . . . . 0.0 111.194 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.827 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.2 pt? -87.7 -22.93 24.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.935 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.5 ttm-85 -73.13 -44.14 60.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.827 -174.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.493 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 42.1 tt0 -62.6 -37.39 86.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.446 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.12 -36.97 78.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.378 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.804 HD11 HG13 ' A' ' 108' ' ' VAL . 27.1 tp -55.32 -34.26 64.03 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.351 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -57.49 -36.05 71.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.648 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.31 -45.53 90.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.945 -177.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -65.6 -43.39 89.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.238 178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -67.75 -29.15 68.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.545 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -61.02 -43.84 98.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.0 110.324 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.567 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -72.14 -39.71 57.63 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.771 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.612 HG23 HD11 ' A' ' 101' ' ' LEU . 69.0 mt -58.38 -42.42 83.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.629 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -59.26 -46.28 88.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.007 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.557 ' O ' HG23 ' A' ' 21' ' ' VAL . 90.3 mt -62.18 -47.28 93.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.931 176.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.569 HD22 HG13 ' A' ' 97' ' ' VAL . 96.3 mt -58.46 -43.01 88.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.754 -176.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 13.3 mmmm -66.81 -34.56 78.09 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.99 0.424 . . . . 0.0 111.05 177.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.509 ' OE2' ' HE2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -68.5 -40.69 80.78 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.991 176.484 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 17' ' ' ILE . 99.1 t -61.0 -39.84 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.795 177.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.09 -38.28 79.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.961 0.41 . . . . 0.0 110.729 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -67.49 -50.38 59.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.94 0.876 . . . . 0.0 109.841 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.509 ' HE2' ' OE2' ' A' ' 20' ' ' GLU . 68.5 mttm -62.2 -25.08 67.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.204 -1.362 . . . . 0.0 111.888 -177.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.7 92.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.723 177.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.543 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 7.2 tmtt? -74.24 -37.76 63.7 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' OE2' ' HA ' ' A' ' 24' ' ' LYS . 40.0 mt-10 -57.67 -44.13 85.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.844 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.66 60.16 3.53 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.701 170.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 12.4 t70 -111.12 123.56 50.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -60.71 -51.33 69.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.655 -175.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -62.75 -40.83 98.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.628 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 7.1 tp10 -60.56 -49.71 76.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.525 177.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.536 HD23 HD12 ' A' ' 36' ' ' LEU . 93.1 mt -60.87 -40.37 92.71 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.245 -178.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.81 -43.37 98.99 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.048 0.451 . . . . 0.0 110.55 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -66.14 -39.37 89.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.278 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 32' ' ' GLU . 92.4 mt -58.7 -47.3 85.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.231 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.574 ' O ' HG23 ' A' ' 41' ' ' VAL . 66.9 t30 -57.37 -47.79 80.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.131 0.491 . . . . 0.0 109.973 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -37.63 88.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.411 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.06 -43.08 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.12 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 36' ' ' LEU . 76.2 mt -62.96 -45.15 99.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.479 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 37' ' ' ASN . 39.2 t -59.16 -45.34 92.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.006 0.431 . . . . 0.0 110.436 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -35.48 81.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.235 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.39 -47.48 76.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.668 0.271 . . . . 0.0 110.677 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.2 mm-40 -63.5 -43.55 96.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.21 176.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -58.8 -38.13 77.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.912 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -62.97 -47.6 82.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.448 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.464 ' O ' ' HD2' ' A' ' 51' ' ' TYR . . . -70.05 -46.93 48.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.08 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.515 HG21 HD11 ' A' ' 78' ' ' ILE . 86.6 t -57.76 -36.43 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 0.0 111.305 -176.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -55.74 -49.06 74.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.556 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.3 t -70.93 -42.15 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.025 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.589 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 31.0 m-85 -58.56 -43.17 89.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.002 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -39.56 93.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.165 0.507 . . . . 0.0 109.855 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.4 -42.36 79.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.206 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.74 76.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.524 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.52 -33.93 70.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.959 0.409 . . . . 0.0 111.478 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -85.52 -11.7 53.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.023 0.44 . . . . 0.0 111.061 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -100.29 1.39 41.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.229 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.74 112.14 4.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.299 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -83.42 -2.43 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.037 -178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -133.32 124.53 18.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.048 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.13 -35.24 42.9 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.034 2.489 . . . . 0.0 113.478 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.55 -44.76 66.8 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.336 0.589 . . . . 0.0 109.898 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -63.3 -36.34 83.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.955 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.6 ttp85 -61.58 -38.98 89.54 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.554 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -39.98 96.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.389 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.5 -50.43 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.323 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.71 -41.56 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.741 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.71 -43.65 98.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.618 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -60.91 -44.02 97.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.465 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.0 mt -64.96 -40.99 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.589 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 2.7 mt -57.05 -40.68 77.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.855 178.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.75 -44.98 93.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.422 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 10.7 m-20 -69.81 -43.62 71.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.923 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.45 ' O ' HG13 ' A' ' 78' ' ' ILE . 24.5 mm-40 -62.77 -44.15 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -57.89 -42.3 84.34 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 121.037 0.446 . . . . 0.0 110.063 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HB2' ' HZ2' ' A' ' 76' ' ' LYS . 3.1 ttmp? -62.42 -42.78 99.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.196 178.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 66.7 m170 -57.28 -43.71 83.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.235 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.515 HD11 HG21 ' A' ' 48' ' ' VAL . 59.3 mt -56.41 -39.79 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.098 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -59.78 -41.98 92.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.73 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 30.5 m0 -60.84 -46.34 90.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.178 0.513 . . . . 0.0 110.683 -177.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -70.99 -33.51 70.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.495 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -64.48 -37.99 89.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.935 0.397 . . . . 0.0 110.506 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.11 89.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.145 179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.53 -35.67 73.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.638 176.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.5 m 67.09 -81.65 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.454 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -153.79 14.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.078 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -132.92 140.54 47.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.795 0.331 . . . . 0.0 110.679 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 178.01 154.42 12.44 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -73.53 142.4 46.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.64 -47.98 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.41 0.444 . . . . 0.0 111.696 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -61.97 -48.38 80.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.252 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -62.85 -42.31 99.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 97' ' ' VAL . 39.5 t80 -64.68 -43.98 91.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.4 -178.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.89 -35.31 80.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.1 t -68.44 -41.0 80.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.931 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.56 -46.31 90.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.12 0.486 . . . . 0.0 110.094 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.569 HG13 HD22 ' A' ' 18' ' ' LEU . 65.2 t -58.13 -45.09 88.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.88 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.75 -44.98 94.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.265 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -62.47 -41.0 98.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.348 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.524 ' CE1' ' HB3' ' A' ' 77' ' ' HIS . 4.7 t-160 -66.3 -43.12 87.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.69 177.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 15' ' ' ILE . 57.5 tp -56.57 -46.12 80.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.906 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -56.73 -44.35 81.58 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.454 -178.396 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' A' ' 106' ' ' ARG . 2.9 t70 -67.89 -39.25 83.7 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.45 -176.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.47 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 41.4 mm-40 -66.21 -36.56 83.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 44.3 mt-30 -66.14 -35.91 81.73 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.531 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 68.2 mtt180 -62.33 -37.2 84.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.943 0.401 . . . . 0.0 110.33 175.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.456 ' O ' HG13 ' A' ' 111' ' ' ILE . 52.9 m170 -64.3 -41.76 96.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.736 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.804 HG13 HD11 ' A' ' 8' ' ' LEU . 97.8 t -64.51 -39.9 87.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 175.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 105' ' ' GLN . 71.5 mm-40 -56.85 -44.98 82.67 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.893 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 16.1 mm-40 -71.17 -31.07 67.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.472 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 107' ' ' HIS . 71.4 mt -72.78 -49.17 42.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.16 -50.6 60.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 94.9 mttt 47.02 103.12 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -61.89 102.99 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.552 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.5 t30 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 117.977 -1.011 . . . . 0.0 111.495 175.832 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 121.072 0.463 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.36 -11.21 56.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.751 -174.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -82.59 7.16 15.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.229 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' HG ' ' HG2' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -112.3 -73.81 0.66 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.95 0.405 . . . . 0.0 110.726 -174.259 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -60.94 -45.34 95.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.334 -173.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -73.23 -32.19 64.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.863 0.363 . . . . 0.0 110.981 -177.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.92 -42.39 94.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.336 0.589 . . . . 0.0 110.025 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.603 HD11 HG13 ' A' ' 108' ' ' VAL . 22.0 tp -58.69 -36.2 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.072 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 49.9 mtpt -57.29 -35.52 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.915 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.68 -45.49 86.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.505 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -61.26 -44.37 97.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.102 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 8' ' ' LEU . 93.7 mt-30 -59.35 -42.91 92.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -61.19 -43.84 98.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.779 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.581 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -66.14 -43.96 92.16 Favored Glycine 0 C--O 1.224 -0.509 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.155 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.519 HG23 HD11 ' A' ' 101' ' ' LEU . 62.4 mt -58.65 -41.38 82.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.157 0.503 . . . . 0.0 110.551 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -58.32 -48.14 81.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.023 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 21' ' ' VAL . 79.8 mt -65.15 -40.56 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.15 177.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.631 HD22 HG13 ' A' ' 97' ' ' VAL . 94.0 mt -60.17 -41.42 92.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.605 0.241 . . . . 0.0 110.952 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -65.11 -38.54 91.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.149 0.499 . . . . 0.0 110.807 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.13 -38.59 82.38 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.259 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.4 t -71.76 -39.7 68.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.644 176.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.0 tp -59.03 -37.21 76.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.191 0.52 . . . . 0.0 110.018 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -61.92 -50.01 73.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.785 175.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.547 ' HD3' HD11 ' A' ' 36' ' ' LEU . 57.9 mttm -68.33 -24.16 64.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.376 -177.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.94 67.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.146 0.498 . . . . 0.0 110.353 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -76.25 -33.8 59.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.079 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -62.32 -47.13 85.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.795 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.96 54.92 3.45 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.497 -0.774 . . . . 0.0 113.36 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.647 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.1 t70 -102.47 110.6 22.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 173.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -53.98 -55.13 29.99 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.226 -173.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -67.6 -41.32 84.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -175.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.8 tt0 -64.05 -38.59 91.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.579 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 29' ' ' ASP . 71.3 mt -57.0 -44.42 82.74 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.5 -36.74 84.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.288 0.566 . . . . 0.0 110.587 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 ttt85 -65.8 -45.8 81.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.471 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD11 ' HD3' ' A' ' 24' ' ' LYS . 85.6 mt -59.47 -39.23 83.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.588 176.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -55.41 -48.11 74.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.176 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -65.91 -36.18 82.66 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.035 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.8 -41.23 99.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.437 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 36' ' ' LEU . 75.4 mt -61.0 -48.31 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.655 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.14 -38.3 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.617 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.93 -43.18 95.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.888 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.35 82.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.9 mm-40 -60.2 -42.77 95.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.42 178.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.06 -40.2 84.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.924 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -65.29 -46.95 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 0.0 110.282 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.52 ' O ' ' HD1' ' A' ' 51' ' ' TYR . . . -58.83 -40.93 95.74 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.408 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.476 HG13 HD21 ' A' ' 71' ' ' LEU . 43.7 t -56.09 -39.05 56.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.866 0.365 . . . . 0.0 111.097 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.94 -41.59 95.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.8 t -65.72 -46.53 88.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.863 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.619 ' HB3' ' HG ' ' A' ' 71' ' ' LEU . 49.5 m-85 -62.44 -41.24 98.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.202 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -59.1 -45.25 91.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.248 0.547 . . . . 0.0 109.936 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -43.04 99.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.567 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.19 -33.79 63.54 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.33 75.55 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -83.77 4.65 28.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.977 0.418 . . . . 0.0 111.153 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -99.11 -13.15 19.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.447 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.44 94.78 3.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.535 -172.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -70.9 -34.83 71.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.222 170.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 20.7 t-20 -83.59 126.02 72.22 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.25 177.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 60' ' ' ASN . 34.4 Cg_exo -60.64 -37.33 80.31 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.309 2.673 . . . . 0.0 113.267 -176.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' HB2' ' OD1' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -62.71 -43.31 99.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.789 0.328 . . . . 0.0 110.826 -179.701 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -62.61 -40.72 97.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.426 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.13 -50.85 71.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 65' ' ' GLN . 6.5 tp60 -61.84 -46.72 88.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.525 -174.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.42 -52.72 57.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.927 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.26 -44.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.04 -48.28 79.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.23 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.942 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -70.96 -36.36 72.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.55 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.49 -38.49 82.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.619 ' HG ' ' HB3' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -56.45 -47.03 80.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.147 175.442 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.82 -40.74 85.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.88 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 9.0 m-20 -63.6 -40.09 96.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -68.03 -37.48 81.4 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.163 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 60.6 mm-40 -57.95 -41.01 81.94 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.87 0.843 . . . . 0.0 109.65 173.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 76' ' ' LYS . 32.4 ttmt -63.89 -35.9 82.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.061 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -66.71 -41.77 87.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.727 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.38 -39.33 85.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.194 0.521 . . . . 0.0 109.733 175.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -60.79 -42.16 97.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.779 176.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.429 ' HB3' HD11 ' A' ' 96' ' ' LEU . 50.4 m0 -62.48 -45.57 92.44 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.868 0.366 . . . . 0.0 110.621 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.544 ' HA ' HD21 ' A' ' 96' ' ' LEU . 6.1 m80 -65.41 -45.75 82.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.296 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -62.98 -34.91 78.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 0.0 111.366 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 86' ' ' LYS . . . -71.39 -50.56 30.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.474 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.01 70.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -173.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.3 m -78.92 71.02 5.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.962 0.41 . . . . 0.0 111.538 -173.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 83' ' ' ALA . 48.2 mttp -139.93 -52.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.213 176.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.13 -46.35 1.23 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.158 -177.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.95 131.71 39.81 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.866 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -136.99 176.24 8.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.772 -0.084 . . . . 0.0 110.772 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 48.62 -89.59 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.234 1.014 . . . . 0.0 113.608 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -61.16 -49.42 77.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.964 0.411 . . . . 0.0 111.27 -176.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.79 -30.31 68.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.25 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.95 -48.05 72.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.423 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.82 88.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.8 m -62.86 -40.59 97.94 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.812 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.544 HD21 ' HA ' ' A' ' 81' ' ' HIS . 57.7 tp -62.61 -47.49 83.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.526 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.631 HG13 HD22 ' A' ' 18' ' ' LEU . 89.0 t -66.56 -37.94 80.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.25 -178.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -64.88 -41.38 95.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.639 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 99' ' ' GLN . 9.9 mm-40 -67.47 -38.22 84.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.392 . . . . 0.0 110.868 176.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.455 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 21.0 t-160 -61.24 -45.13 95.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.763 176.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.519 HD11 HG23 ' A' ' 15' ' ' ILE . 49.3 tp -58.41 -42.02 86.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.12 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -44.62 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.654 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -46.07 65.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.92 0.39 . . . . 0.0 110.659 -178.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 100' ' ' HIS . 31.4 mm-40 -62.81 -33.66 75.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.115 -176.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -64.13 -35.77 81.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.128 0.489 . . . . 0.0 110.127 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -70.72 -35.12 72.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.326 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -59.82 -50.26 74.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.852 177.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.603 HG13 HD11 ' A' ' 8' ' ' LEU . 94.8 t -58.66 -45.16 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.25 -46.49 82.98 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.503 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.9 -46.12 58.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.538 -175.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.425 ' HB ' HD13 ' A' ' 8' ' ' LEU . 85.7 mt -59.26 -36.84 65.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.738 0.304 . . . . 0.0 111.619 -176.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.19 -26.42 60.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.801 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -83.07 90.94 7.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.23 0.538 . . . . 0.0 110.856 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.431 ' HG2' ' HG ' ' A' ' 4' ' ' LEU . 96.0 mttt -73.1 128.03 34.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.148 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.959 -0.543 . . . . 0.0 109.803 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -82.01 -27.73 32.95 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 173.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' CD ' ' HZ1' ' A' ' 63' ' ' LYS . 38.8 tt0 74.31 -77.12 0.06 Allowed 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 114.047 -1.433 . . . . 0.0 112.281 173.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.2 mt -54.53 -54.33 42.54 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -170.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -33.46 67.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.733 0.302 . . . . 0.0 111.102 -176.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.68 -43.1 73.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.083 0.468 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.477 HD11 ' CZ ' ' A' ' 51' ' ' TYR . 22.0 tp -67.22 -44.97 78.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.78 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.582 HD11 HG13 ' A' ' 108' ' ' VAL . 30.7 tp -62.19 -47.21 85.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.449 -178.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.91 -36.38 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.16 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.05 -46.07 79.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.954 0.407 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -66.38 -39.44 89.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.753 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -68.59 -32.45 72.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.061 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -68.5 -40.92 80.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.854 177.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.91 -40.62 95.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.455 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.593 HG23 HD11 ' A' ' 101' ' ' LEU . 67.2 mt -58.91 -45.16 92.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.569 0.223 . . . . 0.0 110.419 174.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -58.79 -45.39 89.96 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 21' ' ' VAL . 75.0 mt -60.8 -44.98 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.856 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.589 HD22 HG13 ' A' ' 97' ' ' VAL . 96.1 mt -63.38 -38.64 91.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.698 0.285 . . . . 0.0 111.047 177.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 7.0 mmpt? -62.75 -38.53 90.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.028 0.442 . . . . 0.0 110.471 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 8.9 tp10 -65.21 -46.66 79.79 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.653 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.56 ' HA ' HD13 ' A' ' 36' ' ' LEU . 60.6 t -61.61 -40.1 85.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.949 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.52 -41.0 98.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.028 0.442 . . . . 0.0 110.257 177.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -61.81 -51.25 69.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.009 0.909 . . . . 0.0 110.004 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.739 ' HD2' HD11 ' A' ' 36' ' ' LEU . 60.5 mttm -69.75 -21.97 63.4 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.623 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.23 -28.16 69.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.222 0.534 . . . . 0.0 110.232 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.6 -28.57 58.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.716 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 24' ' ' LYS . 7.4 mm-40 -54.36 -49.65 69.31 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.966 0.413 . . . . 0.0 110.577 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.0 -5.45 50.22 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.467 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -85.8 123.96 31.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.258 0.529 . . . . 0.0 110.391 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.03 -30.28 58.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.235 -173.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -69.54 -41.36 76.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.022 0.439 . . . . 0.0 110.655 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 12.8 tt0 -62.48 -38.94 91.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.133 177.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.48 -39.02 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.684 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.98 87.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.108 0.48 . . . . 0.0 110.477 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 4.8 tpm_? -59.24 -49.93 75.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.009 174.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.739 HD11 ' HD2' ' A' ' 24' ' ' LYS . 90.0 mt -62.34 -35.89 80.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.703 -178.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -55.15 -44.54 75.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.036 0.446 . . . . 0.0 110.393 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.81 -38.88 87.33 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.799 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.494 ' HA ' ' HD3' ' A' ' 42' ' ' LYS . 12.0 tp10 -65.78 -35.13 79.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.317 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.499 HD11 HG21 ' A' ' 21' ' ' VAL . 77.9 mt -63.29 -46.52 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.316 176.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 62.1 t -58.37 -42.97 85.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.199 176.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 39' ' ' GLU . 50.7 mtpt -60.37 -43.68 96.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.467 177.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.55 80.54 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 111.123 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.6 mm-40 -62.65 -42.58 99.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.288 178.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -59.81 -44.06 94.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.492 178.314 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.19 -42.17 99.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.186 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.71 96.0 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.896 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.744 HG13 HD21 ' A' ' 71' ' ' LEU . 70.7 t -57.26 -38.57 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.747 0.308 . . . . 0.0 110.913 177.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.63 -42.79 89.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.068 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.0 t -70.9 -43.21 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 49.4 m-85 -61.06 -41.67 97.05 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.142 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.94 -41.95 92.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.929 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -46.7 87.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.336 177.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.74 -33.31 68.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.754 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.6 -36.67 79.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.989 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -77.64 -19.87 54.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.559 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -93.43 12.99 23.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.943 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.013 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . . . -64.23 118.52 8.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -88.06 -10.56 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.11 0.481 . . . . 0.0 110.344 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.504 HD22 ' HB2' ' A' ' 62' ' ' GLU . 11.5 t30 -161.15 138.83 6.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.743 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -47.49 -32.08 14.83 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 124.337 3.358 . . . . 0.0 114.826 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.504 ' HB2' HD22 ' A' ' 60' ' ' ASN . 29.9 mm-40 -57.06 -38.71 73.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.158 0.504 . . . . 0.0 111.018 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 1.013 ' HD3' ' HA ' ' A' ' 58' ' ' ALA . 64.7 tttp -64.65 -36.77 85.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.33 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.564 ' HE ' ' HB2' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -66.61 -42.14 87.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 -178.624 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -58.62 -43.05 89.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.547 0.213 . . . . 0.0 111.266 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.08 -50.72 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.564 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 93.7 mt -62.23 -46.26 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.863 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.564 ' HB2' ' HE ' ' A' ' 64' ' ' ARG . 20.3 t70 -60.4 -49.01 79.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.488 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 1.015 ' HE2' ' HA ' ' A' ' 69' ' ' LYS . 9.1 mmpt? -65.58 -43.83 88.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.604 -176.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.472 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 68.8 mt -65.52 -40.63 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.323 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.744 HD21 HG13 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -57.6 -46.38 84.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.559 177.033 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -65.69 -37.32 86.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.56 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 6.7 m-20 -61.94 -38.6 89.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.688 174.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 37.5 mm-40 -67.24 -42.24 84.31 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 54.3 mm-40 -57.97 -40.54 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.356 0.598 . . . . 0.0 110.106 174.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 31.6 ttpt -58.58 -40.55 83.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.89 176.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -64.38 -41.27 96.78 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.663 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.7 HG22 ' HE3' ' A' ' 82' ' ' LYS . 44.1 mt -67.02 -37.37 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.428 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.86 -42.13 71.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.271 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.434 ' HB3' HD11 ' A' ' 96' ' ' LEU . 39.5 m0 -65.12 -45.13 86.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -69.22 -29.76 67.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.83 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 78' ' ' ILE . 95.8 mttt -59.36 -40.89 87.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.825 0.345 . . . . 0.0 110.47 175.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.97 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.931 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.76 -30.06 68.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.009 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.3 m -75.49 71.32 2.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -168.52 -63.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.091 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -119.49 112.04 18.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.524 0.678 . . . . 0.0 109.457 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -86.45 89.64 1.63 Allowed Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.697 -0.764 . . . . 0.0 113.18 -173.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -90.79 111.82 23.37 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 171.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.65 -40.94 84.86 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -174.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.34 -48.82 76.39 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.767 0.318 . . . . 0.0 111.218 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -64.5 -40.67 96.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.656 177.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -65.95 -45.77 80.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.719 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.96 90.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.794 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -67.65 -38.2 83.5 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.389 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 80' ' ' TRP . 56.4 tp -61.87 -47.24 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.385 177.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.589 HG13 HD22 ' A' ' 18' ' ' LEU . 72.0 t -62.25 -37.64 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.205 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.52 -41.91 96.1 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.695 0.283 . . . . 0.0 111.015 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -69.5 -40.75 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -58.98 -41.15 86.9 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.859 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 15' ' ' ILE . 52.6 tp -57.7 -47.37 82.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.393 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.456 ' HB3' HE21 ' A' ' 102' ' ' GLN . 0.0 OUTLIER -56.46 -44.76 80.85 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.534 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.24 -44.82 90.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.237 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -63.64 -38.03 89.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.48 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -62.08 -37.48 85.2 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.403 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 106' ' ' ARG . 15.9 tpt180 -71.89 -32.64 67.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.275 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -61.43 -46.25 90.89 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.582 HG13 HD11 ' A' ' 8' ' ' LEU . 84.8 t -62.26 -40.55 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.536 176.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -57.67 -41.83 82.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.175 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -46.68 88.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.039 0.447 . . . . 0.0 110.025 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.71 -50.75 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -174.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -66.94 -32.47 73.74 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.923 1.082 . . . . 0.0 113.923 -166.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 25.81 11.0 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.283 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -100.91 161.64 13.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.651 172.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.982 179.442 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_